4-[(3,4-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)piperazin-4-ium-1-carboxamide Traditional Name: N-(2-methoxyphenyl)-4-veratryl-piperazin-4-ium-1-carboxamide Formula: C21H28N3O4+ MolecularWeight: 386.46472

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3OC)OC

InChI

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