1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one

Systemtic Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one Openeye Name: 1-[4-[(4,5-dimethoxy-2-methyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one CAS Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-(2-methylphenoxy)-1-propanone IUPAC Name: 1-[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one Traditional Name: 1-[4-(4,5-dimethoxy-2-methyl-benzyl)piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one Formula: C24H33N2O4+ MolecularWeight: 413.52982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3C)OC)OC

InChI

InChI=1S/C24H32N2O4/c1-18-7-5-6-8-21(18)30-14-9-24(27)26-12-10-25(11-13-26)17-20-16-23(29-4)22(28-3)15-19(20)2/h5-8,15-16H,9-14,17H2,1-4H3/p+1