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

Systemtic Name: N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]phenyl]ethanamide Openeye Name: N-[4-[2-[4-(m-tolylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]phenyl]acetamide CAS Name: N-[4-[2-[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]phenyl]acetamide IUPAC Name: N-[4-[2-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]phenyl]acetamide Traditional Name: N-[4-[2-keto-2-[4-(3-methylbenzyl)piperazin-4-ium-1-yl]ethyl]phenyl]acetamide Formula: C22H28N3O2+ MolecularWeight: 366.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=C(C=C3)NC(=O)C

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)CC3=CC=C(C=C3)NC(=O)C

InChI

InChI=1S/C22H27N3O2/c1-17-4-3-5-20(14-17)16-24-10-12-25(13-11-24)22(27)15-19-6-8-21(9-7-19)23-18(2)26/h3-9,14H,10-13,15-16H2,1-2H3,(H,23,26)/p+1