1-hexyl-3-[[4-(4-methoxy-3,5-dimethyl-phenyl)phenyl]methyl]-1-methyl-piperazin-1-ium-2,5-dione

Systemtic Name: 1-hexyl-3-[[4-(4-methoxy-3,5-dimethyl-phenyl)phenyl]methyl]-1-methyl-piperazin-1-ium-2,5-dione Openeye Name: 1-hexyl-3-[[4-(4-methoxy-3,5-dimethyl-phenyl)phenyl]methyl]-1-methyl-piperazin-1-ium-2,5-dione CAS Name: 1-hexyl-3-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]-1-methylpiperazin-1-ium-2,5-dione IUPAC Name: 1-hexyl-3-[[4-(4-methoxy-3,5-dimethylphenyl)phenyl]methyl]-1-methylpiperazin-1-ium-2,5-dione Traditional Name: 1-hexyl-3-[4-(4-methoxy-3,5-dimethyl-phenyl)benzyl]-1-methyl-piperazin-1-ium-2,5-quinone Formula: C27H37N2O3+ MolecularWeight: 437.59428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O3/c1-6-7-8-9-14-29(4)18-25(30)28-24(27(29)31)17-21-10-12-22(13-11-21)23-15-19(2)26(32-5)20(3)16-23/h10-13,15-16,24H,6-9,14,17-18H2,1-5H3/p+1