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

Systemtic Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-propyl-piperidin-1-ium-3-carboxamide Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCCC(C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CCC[NH+]1CCC[C@@H](C1)C(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O/c1-2-13-26-14-5-6-17(15-26)22(27)23-18-11-9-16(10-12-18)21-24-19-7-3-4-8-20(19)25-21/h3-4,7-12,17H,2,5-6,13-15H2,1H3,(H,23,27)(H,24,25)/p+1/t17-/m0/s1