2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]ethanamide

Systemtic Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]ethanamide Openeye Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(p-tolylmethyl)acetamide CAS Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)-1-piperidin-1-iumyl]-N-[(4-methylphenyl)methyl]acetamide IUPAC Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-[(4-methylphenyl)methyl]acetamide Traditional Name: 2-[(3R)-3-(1H-benzimidazol-2-yl)piperidin-1-ium-1-yl]-N-(4-methylbenzyl)acetamide Formula: C22H27N4O+ MolecularWeight: 363.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCCC(C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C[NH+]2CCC[C@H](C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H26N4O/c1-16-8-10-17(11-9-16)13-23-21(27)15-26-12-4-5-18(14-26)22-24-19-6-2-3-7-20(19)25-22/h2-3,6-11,18H,4-5,12-15H2,1H3,(H,23,27)(H,24,25)/p+1/t18-/m1/s1