N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide

Systemtic Name: N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-2-phenoxy-ethanamide Openeye Name: N-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-2-phenoxy-acetamide CAS Name: N-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-phenoxyacetamide IUPAC Name: N-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]-2-phenoxyacetamide Traditional Name: N-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]-2-phenoxy-acetamide Formula: C22H28N3O3+ MolecularWeight: 382.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CNC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C22H27N3O3/c1-18-6-5-7-19(14-18)16-24-10-12-25(13-11-24)22(27)15-23-21(26)17-28-20-8-3-2-4-9-20/h2-9,14H,10-13,15-17H2,1H3,(H,23,26)/p+1