4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-(p-tolylmethyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]piperazin-4-ium-1-carboxamide Traditional Name: 4-(2,5-dimethoxybenzyl)-N-(4-methylbenzyl)piperazin-4-ium-1-carboxamide Formula: C22H30N3O3+ MolecularWeight: 384.4919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)N2CC[NH+](CC2)CC3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H29N3O3/c1-17-4-6-18(7-5-17)15-23-22(26)25-12-10-24(11-13-25)16-19-14-20(27-2)8-9-21(19)28-3/h4-9,14H,10-13,15-16H2,1-3H3,(H,23,26)/p+1