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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)CC(=O)NC3=CC(=C(C=C3)OC)OC

InChI

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