1-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide

Systemtic Name: 1-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl]-N-(phenylmethyl)piperidin-1-ium-4-carboxamide Openeye Name: N-benzyl-1-[2-[4-(m-tolylmethyl)piperazin-1-yl]-2-oxo-ethyl]piperidin-1-ium-4-carboxamide CAS Name: 1-[2-[4-[(3-methylphenyl)methyl]-1-piperazinyl]-2-oxoethyl]-N-(phenylmethyl)-4-piperidin-1-iumcarboxamide IUPAC Name: N-benzyl-1-[2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]-2-oxoethyl]piperidin-1-ium-4-carboxamide Traditional Name: N-benzyl-1-[2-keto-2-[4-(3-methylbenzyl)piperazino]ethyl]piperidin-1-ium-4-carboxamide Formula: C27H37N4O2+ MolecularWeight: 449.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCN(CC2)C(=O)C[NH+]3CCC(CC3)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C27H36N4O2/c1-22-6-5-9-24(18-22)20-30-14-16-31(17-15-30)26(32)21-29-12-10-25(11-13-29)27(33)28-19-23-7-3-2-4-8-23/h2-9,18,25H,10-17,19-21H2,1H3,(H,28,33)/p+1