dimethyl-[(2S)-1-[(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylamino]-3-phenyl-propan-2-yl]azanium

Systemtic Name: dimethyl-[(2S)-1-[(3-methyl-4-oxidanylidene-2-phenyl-chromen-8-yl)carbonylamino]-3-phenyl-propan-2-yl]azanium Openeye Name: [(1S)-1-benzyl-2-[(3-methyl-4-oxo-2-phenyl-chromene-8-carbonyl)amino]ethyl]-dimethyl-ammonium CAS Name: dimethyl-[(2S)-1-[[(3-methyl-4-oxo-2-phenyl-1-benzopyran-8-yl)-oxomethyl]amino]-3-phenylpropan-2-yl]ammonium IUPAC Name: dimethyl-[(2S)-1-[(3-methyl-4-oxo-2-phenylchromene-8-carbonyl)amino]-3-phenylpropan-2-yl]azanium Traditional Name: [(1S)-1-benzyl-2-[(4-keto-3-methyl-2-phenyl-chromene-8-carbonyl)amino]ethyl]-dimethyl-ammonium Formula: C28H29N2O3+ MolecularWeight: 441.54146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCC(CC3=CC=CC=C3)[NH+](C)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NC[C@H](CC3=CC=CC=C3)[NH+](C)C)C4=CC=CC=C4

InChI

InChI=1S/C28H28N2O3/c1-19-25(31)23-15-10-16-24(27(23)33-26(19)21-13-8-5-9-14-21)28(32)29-18-22(30(2)3)17-20-11-6-4-7-12-20/h4-16,22H,17-18H2,1-3H3,(H,29,32)/p+1/t22-/m0/s1