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

Systemtic Name: 4-butyl-1-methyl-1-oxidanidyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one Openeye Name: 4-butyl-1-methyl-1-oxido-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one CAS Name: 4-butyl-1-methyl-1-oxido-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-2-piperazin-1-iumone IUPAC Name: 4-butyl-1-methyl-1-oxido-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one Traditional Name: 4-butyl-1-methyl-1-oxido-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2-one Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC[N+](C(=O)C1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)[O-]

Isomeric SMILES

CCCCN1CC[N+](C(=O)C1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)[O-]

InChI

InChI=1S/C25H34N2O5/c1-6-7-12-26-13-14-27(2,29)25(28)21(26)15-18-8-10-19(11-9-18)20-16-22(30-3)24(32-5)23(17-20)31-4/h8-11,16-17,21H,6-7,12-15H2,1-5H3