N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(3,4-dimethoxyphenyl)-2-[4-(3-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C[NH+]2CCN(CC2)C3=CC(=CC=C3)OC)OC

InChI

InChI=1S/C21H27N3O4/c1-26-18-6-4-5-17(14-18)24-11-9-23(10-12-24)15-21(25)22-16-7-8-19(27-2)20(13-16)28-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)/p+1