1-methyl-1-nonyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione

Systemtic Name: 1-methyl-1-nonyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1-methyl-1-nonyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1-methyl-1-nonyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1-methyl-1-nonyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1-methyl-1-nonyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C30H43N2O5+ MolecularWeight: 511.67282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC[N+]1(CC(=O)NC(C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)C

Isomeric SMILES

CCCCCCCCC[N+]1(CC(=O)NC(C1=O)CC2=CC=C(C=C2)C3=CC(=C(C(=C3)OC)OC)OC)C

InChI

InChI=1S/C30H42N2O5/c1-6-7-8-9-10-11-12-17-32(2)21-28(33)31-25(30(32)34)18-22-13-15-23(16-14-22)24-19-26(35-3)29(37-5)27(20-24)36-4/h13-16,19-20,25H,6-12,17-18,21H2,1-5H3/p+1