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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)C)OC

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CC(=O)NC3=C(C=CC(=C3)C)OC

InChI

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