2-[2-(1H-benzimidazol-2-yl)-2-methyl-1-(phenylmethyl)piperidin-1-ium-1-yl]ethanamine

Systemtic Name: 2-[2-(1H-benzimidazol-2-yl)-2-methyl-1-(phenylmethyl)piperidin-1-ium-1-yl]ethanamine Openeye Name: 2-[2-(1H-benzimidazol-2-yl)-1-benzyl-2-methyl-piperidin-1-ium-1-yl]ethanamine CAS Name: 2-[2-(1H-benzimidazol-2-yl)-2-methyl-1-(phenylmethyl)-1-piperidin-1-iumyl]ethanamine IUPAC Name: 2-[2-(1H-benzimidazol-2-yl)-1-benzyl-2-methylpiperidin-1-ium-1-yl]ethanamine Traditional Name: 2-[2-(1H-benzimidazol-2-yl)-1-benzyl-2-methyl-piperidin-1-ium-1-yl]ethylamine Formula: C22H29N4+ MolecularWeight: 349.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC[N+]1(CCN)CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1(CCCC[N+]1(CCN)CC2=CC=CC=C2)C3=NC4=CC=CC=C4N3

InChI

InChI=1S/C22H29N4/c1-22(21-24-19-11-5-6-12-20(19)25-21)13-7-8-15-26(22,16-14-23)17-18-9-3-2-4-10-18/h2-6,9-12H,7-8,13-17,23H2,1H3,(H,24,25)/q+1