1-[[4-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[4-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]pyrrolidin-2-one Openeye Name: 1-[[4-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one CAS Name: 1-[[4-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[4-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]pyrrolidin-2-one Traditional Name: 1-[4-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-carbonyl]benzyl]-2-pyrrolidone Formula: C26H34N3O4+ MolecularWeight: 452.56586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCCC4=O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CN4CCCC4=O)OC)OC

InChI

InChI=1S/C26H33N3O4/c1-19-15-23(32-2)24(33-3)16-22(19)18-27-11-13-28(14-12-27)26(31)21-8-6-20(7-9-21)17-29-10-4-5-25(29)30/h6-9,15-16H,4-5,10-14,17-18H2,1-3H3/p+1