N-(3,4-dimethoxyphenyl)-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]benzamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]benzamide Openeye Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3,4-dimethoxyphenyl)benzamide CAS Name: N-(3,4-dimethoxyphenyl)-4-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]benzamide IUPAC Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3,4-dimethoxyphenyl)benzamide Traditional Name: 4-[(4-benzylpiperazin-1-ium-1-yl)methyl]-N-(3,4-dimethoxyphenyl)benzamide Formula: C27H32N3O3+ MolecularWeight: 446.56128

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C[NH+]3CCN(CC3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C27H31N3O3/c1-32-25-13-12-24(18-26(25)33-2)28-27(31)23-10-8-22(9-11-23)20-30-16-14-29(15-17-30)19-21-6-4-3-5-7-21/h3-13,18H,14-17,19-20H2,1-2H3,(H,28,31)/p+1