N-(3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(m-tolyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-(3-methylphenyl)-2-[4-(2-phenoxyethyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(3-methylphenyl)-2-[4-(2-phenoxyethyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(m-tolyl)-2-[4-(2-phenoxyethyl)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)NC(=O)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C[NH+]2CCN(CC2)CCOC3=CC=CC=C3

InChI

InChI=1S/C21H27N3O2/c1-18-6-5-7-19(16-18)22-21(25)17-24-12-10-23(11-13-24)14-15-26-20-8-3-2-4-9-20/h2-9,16H,10-15,17H2,1H3,(H,22,25)/p+1