N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide

Systemtic Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Openeye Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide CAS Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2-methoxyphenyl)methyl]-4-piperidin-1-iumcarboxamide IUPAC Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-[(2-methoxyphenyl)methyl]piperidin-1-ium-4-carboxamide Traditional Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-1-o-anisyl-piperidin-1-ium-4-carboxamide Formula: C27H29N4O2+ MolecularWeight: 441.54476

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

COC1=CC=CC=C1C[NH+]2CCC(CC2)C(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H28N4O2/c1-33-25-9-5-2-6-21(25)18-31-16-14-20(15-17-31)27(32)28-22-12-10-19(11-13-22)26-29-23-7-3-4-8-24(23)30-26/h2-13,20H,14-18H2,1H3,(H,28,32)(H,29,30)/p+1