[(1S)-2-[(6-chloranyl-7-methyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium

Systemtic Name: [(1S)-2-[(6-chloranyl-7-methyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-1-phenyl-ethyl]-dimethyl-azanium Openeye Name: [(1S)-2-[(6-chloro-7-methyl-4-oxo-chromene-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium CAS Name: [(1S)-2-[[(6-chloro-7-methyl-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]-1-phenylethyl]-dimethylammonium IUPAC Name: [(1S)-2-[(6-chloro-7-methyl-4-oxochromene-2-carbonyl)amino]-1-phenylethyl]-dimethylazanium Traditional Name: [(1S)-2-[(6-chloro-4-keto-7-methyl-chromene-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H22ClN2O3+ MolecularWeight: 385.86398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NCC(C3=CC=CC=C3)[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NC[C@H](C3=CC=CC=C3)[NH+](C)C)Cl

InChI

InChI=1S/C21H21ClN2O3/c1-13-9-19-15(10-16(13)22)18(25)11-20(27-19)21(26)23-12-17(24(2)3)14-7-5-4-6-8-14/h4-11,17H,12H2,1-3H3,(H,23,26)/p+1/t17-/m1/s1