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

Systemtic Name: dimethyl-[(1S)-2-[(6-methyl-4-oxidanylidene-chromen-2-yl)carbonylamino]-1-phenyl-ethyl]azanium Openeye Name: dimethyl-[(1S)-2-[(6-methyl-4-oxo-chromene-2-carbonyl)amino]-1-phenyl-ethyl]ammonium CAS Name: dimethyl-[(1S)-2-[[(6-methyl-4-oxo-1-benzopyran-2-yl)-oxomethyl]amino]-1-phenylethyl]ammonium IUPAC Name: dimethyl-[(1S)-2-[(6-methyl-4-oxochromene-2-carbonyl)amino]-1-phenylethyl]azanium Traditional Name: [(1S)-2-[(4-keto-6-methyl-chromene-2-carbonyl)amino]-1-phenyl-ethyl]-dimethyl-ammonium Formula: C21H23N2O3+ MolecularWeight: 351.41892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3/c1-14-9-10-19-16(11-14)18(24)12-20(26-19)21(25)22-13-17(23(2)3)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,22,25)/p+1/t17-/m1/s1