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

Systemtic Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(cyclopropylmethyl)-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[4-(1H-benzimidazol-2-yl)phenyl]-1-(cyclopropylmethyl)piperidin-1-ium-3-carboxamide Formula: C23H27N4O+ MolecularWeight: 375.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C23H26N4O/c28-23(18-4-3-13-27(15-18)14-16-7-8-16)24-19-11-9-17(10-12-19)22-25-20-5-1-2-6-21(20)26-22/h1-2,5-6,9-12,16,18H,3-4,7-8,13-15H2,(H,24,28)(H,25,26)/p+1/t18-/m0/s1