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

Systemtic Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one Openeye Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one CAS Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]-1-piperazin-4-iumyl]-3-(2-methylphenoxy)-1-propanone IUPAC Name: 1-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-4-ium-1-yl]-3-(2-methylphenoxy)propan-1-one Traditional Name: 3-(2-methylphenoxy)-1-(4-veratrylpiperazin-4-ium-1-yl)propan-1-one Formula: C23H31N2O4+ MolecularWeight: 399.50324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1OCCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C23H30N2O4/c1-18-6-4-5-7-20(18)29-15-10-23(26)25-13-11-24(12-14-25)17-19-8-9-21(27-2)22(16-19)28-3/h4-9,16H,10-15,17H2,1-3H3/p+1