N-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3,4-dimethoxy-benzamide CAS Name: N-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3,4-dimethoxybenzamide Traditional Name: N-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-3,4-dimethoxy-benzamide Formula: C20H25ClN3O3+ MolecularWeight: 390.8838

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24ClN3O3/c1-26-18-7-6-15(12-19(18)27-2)20(25)22-14-23-8-10-24(11-9-23)17-5-3-4-16(21)13-17/h3-7,12-13H,8-11,14H2,1-2H3,(H,22,25)/p+1