D5B
Summary
| Name: | [8-(azaniumylmethyl)anthracen-1-yl]methylazanium |
| Formula: | C16 H18 N2 |
| Formal charge: | 2 |
| Formula weight: | 238.328 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [8-(azaniumylmethyl)anthracen-1-yl]methylazanium |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H16N2/c17-9-13-5-1-3-11-7-12-4-2-6-14(10-18)16(12)8-15(11)13/h1-8H,9-10,17-18H2/p+2 |
| InChIKey | InChI | 1.03 | NTFMELQYTBAEQP-UHFFFAOYSA-P |
| SMILES_CANONICAL | CACTVS | 3.385 | [NH3+]Cc1cccc2cc3cccc(C[NH3+])c3cc12 |
| SMILES | CACTVS | 3.385 | [NH3+]Cc1cccc2cc3cccc(C[NH3+])c3cc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2cc3cccc(c3cc2c(c1)C[NH3+])C[NH3+] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2cc3cccc(c3cc2c(c1)C[NH3+])C[NH3+] |
