4-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: 4-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide Openeye Name: 4-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide CAS Name: 4-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: 4-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]-N-phenylpiperidine-1-carboxamide Traditional Name: 4-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-carbonyl]-N-phenyl-piperidine-1-carboxamide Formula: C27H37N4O4+ MolecularWeight: 481.60708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3CCN(CC3)C(=O)NC4=CC=CC=C4)OC)OC

InChI

InChI=1S/C27H36N4O4/c1-20-17-24(34-2)25(35-3)18-22(20)19-29-13-15-30(16-14-29)26(32)21-9-11-31(12-10-21)27(33)28-23-7-5-4-6-8-23/h4-8,17-18,21H,9-16,19H2,1-3H3,(H,28,33)/p+1