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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)NC3=C(C=CC(=C3)C)OC

InChI

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