[(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-prop-2-ynyl-azanium

Systemtic Name: [(1S)-2-[(3-chloranyl-4-methyl-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-prop-2-ynyl-azanium Openeye Name: [(1S)-2-(3-chloro-4-methyl-anilino)-2-oxo-1-phenyl-ethyl]-prop-2-ynyl-ammonium CAS Name: [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-prop-2-ynylammonium IUPAC Name: [(1S)-2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]-prop-2-ynylazanium Traditional Name: [(1S)-2-(3-chloro-4-methyl-anilino)-2-keto-1-phenyl-ethyl]-propargyl-ammonium Formula: C18H18ClN2O+ MolecularWeight: 313.80132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH2+]CC#C)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH2+]CC#C)Cl

InChI

InChI=1S/C18H17ClN2O/c1-3-11-20-17(14-7-5-4-6-8-14)18(22)21-15-10-9-13(2)16(19)12-15/h1,4-10,12,17,20H,11H2,2H3,(H,21,22)/p+1/t17-/m0/s1