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

Systemtic Name: N-(3,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: N-(3,4-dimethoxyphenyl)-4-(o-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: N-(3,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: N-(3,4-dimethoxyphenyl)-4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: N-(3,4-dimethoxyphenyl)-4-(2-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C21H28N3O3+ MolecularWeight: 370.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H27N3O3/c1-16-6-4-5-7-17(16)15-23-10-12-24(13-11-23)21(25)22-18-8-9-19(26-2)20(14-18)27-3/h4-9,14H,10-13,15H2,1-3H3,(H,22,25)/p+1