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

Systemtic Name: 1-methyl-1-(3-propan-2-yloxypropyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Openeye Name: 1-(3-isopropoxypropyl)-1-methyl-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione CAS Name: 1-methyl-1-(3-propan-2-yloxypropyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione IUPAC Name: 1-methyl-1-(3-propan-2-yloxypropyl)-3-[[4-(3,4,5-trimethoxyphenyl)phenyl]methyl]piperazin-1-ium-2,5-dione Traditional Name: 1-(3-isopropoxypropyl)-1-methyl-3-[4-(3,4,5-trimethoxyphenyl)benzyl]piperazin-1-ium-2,5-quinone Formula: C27H37N2O6+ MolecularWeight: 485.59248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O6/c1-18(2)35-13-7-12-29(3)17-25(30)28-22(27(29)31)14-19-8-10-20(11-9-19)21-15-23(32-4)26(34-6)24(16-21)33-5/h8-11,15-16,18,22H,7,12-14,17H2,1-6H3/p+1