N-(2,6-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2,6-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(2,6-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2,6-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2,6-dimethoxyphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-ium-1-yl]acetamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC=C1)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

Isomeric SMILES

COC1=C(C(=CC=C1)OC)NC(=O)C[NH+]2CCN(CC2)C3=CC=CC=C3OC

InChI

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