4-[(2-methoxy-5-methyl-phenyl)methyl]-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-[(2-methoxy-5-methyl-phenyl)methyl]-N-(m-tolyl)piperazin-4-ium-1-carboxamide CAS Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-(3-methylphenyl)-1-piperazin-4-iumcarboxamide IUPAC Name: 4-[(2-methoxy-5-methylphenyl)methyl]-N-(3-methylphenyl)piperazin-4-ium-1-carboxamide Traditional Name: 4-(2-methoxy-5-methyl-benzyl)-N-(m-tolyl)piperazin-4-ium-1-carboxamide Formula: C21H28N3O2+ MolecularWeight: 354.46592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2/c1-16-5-4-6-19(14-16)22-21(25)24-11-9-23(10-12-24)15-18-13-17(2)7-8-20(18)26-3/h4-8,13-14H,9-12,15H2,1-3H3,(H,22,25)/p+1