Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N(CC1CC(=CC[NH2+]C1)CO)Cc2ccc(N)cc2)Cc3ccc(N)cc3 |
InChI | InChI | 1.03 | InChI=1S/C23H30N4O2/c24-21-5-1-17(2-6-21)12-23(29)27(14-18-3-7-22(25)8-4-18)15-20-11-19(16-28)9-10-26-13-20/h1-9,20,26,28H,10-16,24-25H2/p+1/t20-/m1/s1 |
InChIKey | InChI | 1.03 | WRSLWDODYIRHLE-HXUWFJFHSA-O |
SMILES_CANONICAL | CACTVS | 3.370 | Nc1ccc(CN(C[C@H]2C[NH2+]CC=C(CO)C2)C(=O)Cc3ccc(N)cc3)cc1 |
SMILES | CACTVS | 3.370 | Nc1ccc(CN(C[CH]2C[NH2+]CC=C(CO)C2)C(=O)Cc3ccc(N)cc3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)C[C@@H]3CC(=CC[NH2+]C3)CO)N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1CC(=O)N(Cc2ccc(cc2)N)CC3CC(=CC[NH2+]C3)CO)N |