[2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]-prop-2-ynyl-azanium

Systemtic Name: [2-[[2-[(4-methylphenyl)methylcarbamoyl]phenyl]amino]-2-oxidanylidene-ethyl]-prop-2-ynyl-azanium Openeye Name: [2-oxo-2-[2-(p-tolylmethylcarbamoyl)anilino]ethyl]-prop-2-ynyl-ammonium CAS Name: [2-[2-[[(4-methylphenyl)methylamino]-oxomethyl]anilino]-2-oxoethyl]-prop-2-ynylammonium IUPAC Name: [2-[2-[(4-methylphenyl)methylcarbamoyl]anilino]-2-oxoethyl]-prop-2-ynylazanium Traditional Name: [2-keto-2-[2-[(4-methylbenzyl)carbamoyl]anilino]ethyl]-propargyl-ammonium Formula: C20H22N3O2+ MolecularWeight: 336.40758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)C[NH2+]CC#C

Isomeric SMILES

CC1=CC=C(C=C1)CNC(=O)C2=CC=CC=C2NC(=O)C[NH2+]CC#C

InChI

InChI=1S/C20H21N3O2/c1-3-12-21-14-19(24)23-18-7-5-4-6-17(18)20(25)22-13-16-10-8-15(2)9-11-16/h1,4-11,21H,12-14H2,2H3,(H,22,25)(H,23,24)/p+1