(3S)-1-(1H-benzimidazol-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-N-[4-(2-methyl-1-imidazolyl)phenyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-(1H-benzimidazol-2-ylmethyl)-N-[4-(2-methylimidazol-1-yl)phenyl]piperidin-1-ium-3-carboxamide Formula: C24H27N6O+ MolecularWeight: 415.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)C3CCC[NH+](C3)CC4=NC5=CC=CC=C5N4

Isomeric SMILES

CC1=NC=CN1C2=CC=C(C=C2)NC(=O)[C@H]3CCC[NH+](C3)CC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C24H26N6O/c1-17-25-12-14-30(17)20-10-8-19(9-11-20)26-24(31)18-5-4-13-29(15-18)16-23-27-21-6-2-3-7-22(21)28-23/h2-3,6-12,14,18H,4-5,13,15-16H2,1H3,(H,26,31)(H,27,28)/p+1/t18-/m0/s1