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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCC(=O)N2CC[NH+](CC2)CC3=CC(=C(C=C3)OC)OC

InChI

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