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

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-phenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-phenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-N-phenylpiperazin-4-ium-1-carboxamide Traditional Name: N-phenyl-4-veratryl-piperazin-4-ium-1-carboxamide Formula: C20H26N3O3+ MolecularWeight: 356.43874

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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=C3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=CC=CC=C3)OC

InChI

InChI=1S/C20H25N3O3/c1-25-18-9-8-16(14-19(18)26-2)15-22-10-12-23(13-11-22)20(24)21-17-6-4-3-5-7-17/h3-9,14H,10-13,15H2,1-2H3,(H,21,24)/p+1