N-hexylmethanamide; 1-methyl-1-oxidanidyl-4-propyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one

Systemtic Name: N-hexylmethanamide; 1-methyl-1-oxidanidyl-4-propyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one Openeye Name: N-hexylformamide; 1-methyl-1-oxido-4-propyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one CAS Name: N-hexylformamide; 1-methyl-1-oxido-4-propyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]-2-piperazin-1-iumone IUPAC Name: N-hexylformamide; 1-methyl-1-oxido-4-propyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2-one Traditional Name: N-hexylformamide; 1-methyl-1-oxido-4-propyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2-one Formula: C31H47N3O6 MolecularWeight: 557.72138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC=O.CCCN1CC[N+](C(=O)C1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)[O-]

Isomeric SMILES

CCCCCCNC=O.CCCN1CC[N+](C(=O)C1CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)(C)[O-]

InChI

InChI=1S/C24H32N2O5.C7H15NO/c1-6-11-25-12-13-26(2,28)24(27)20(25)14-17-7-9-18(10-8-17)19-15-21(29-3)23(31-5)22(16-19)30-4;1-2-3-4-5-6-8-7-9/h7-10,15-16,20H,6,11-14H2,1-5H3;7H,2-6H2,1H3,(H,8,9)