1-decyl-4-methyl-1-oxidanidyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one

Systemtic Name: 1-decyl-4-methyl-1-oxidanidyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one Openeye Name: 1-decyl-4-methyl-1-oxido-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one CAS Name: 1-decyl-4-methyl-1-oxido-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-2-piperazin-1-iumone IUPAC Name: 1-decyl-4-methyl-1-oxido-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one Traditional Name: 1-decyl-4-methyl-1-oxido-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2-one Formula: C31H46N2O5 MolecularWeight: 526.70734

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+]1(CCN(C(C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)C)[O-]

Isomeric SMILES

CCCCCCCCCC[N+]1(CCN(C(C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)C)[O-]

InChI

InChI=1S/C31H46N2O5/c1-6-7-8-9-10-11-12-13-19-33(35)20-18-32(2)27(31(33)34)21-24-14-16-25(17-15-24)26-22-28(36-3)30(38-5)29(23-26)37-4/h14-17,22-23,27H,6-13,18-21H2,1-5H3