[(2S)-1-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(7-ethyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(7-ethyl-2-oxo-chromen-4-yl)methylammonio]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[(7-ethyl-2-oxo-1-benzopyran-4-yl)methylammonio]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(7-ethyl-2-oxochromen-4-yl)methylazaniumyl]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(7-ethyl-2-keto-chromen-4-yl)methylammonio]ethyl]-dimethyl-ammonium Formula: C23H30N2O2+2 MolecularWeight: 366.4965

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]CC(CC3=CC=CC=C3)[NH+](C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH2+]C[C@H](CC3=CC=CC=C3)[NH+](C)C

InChI

InChI=1S/C23H28N2O2/c1-4-17-10-11-21-19(14-23(26)27-22(21)13-17)15-24-16-20(25(2)3)12-18-8-6-5-7-9-18/h5-11,13-14,20,24H,4,12,15-16H2,1-3H3/p+2/t20-/m0/s1