[(2S)-1-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-3-phenyl-propan-2-yl]-dimethyl-azanium

Systemtic Name: [(2S)-1-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methylazaniumyl]-3-phenyl-propan-2-yl]-dimethyl-azanium Openeye Name: [(1S)-1-benzyl-2-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methylammonio]ethyl]-dimethyl-ammonium CAS Name: [(2S)-1-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methylammonio]-3-phenylpropan-2-yl]-dimethylammonium IUPAC Name: [(2S)-1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methylazaniumyl]-3-phenylpropan-2-yl]-dimethylazanium Traditional Name: [(1S)-1-benzyl-2-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methylammonio]ethyl]-dimethyl-ammonium Formula: C22H27ClN2O2+2 MolecularWeight: 386.91498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CC(CC3=CC=CC=C3)[NH+](C)C)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]C[C@H](CC3=CC=CC=C3)[NH+](C)C)Cl

InChI

InChI=1S/C22H25ClN2O2/c1-15-9-21-19(12-20(15)23)17(11-22(26)27-21)13-24-14-18(25(2)3)10-16-7-5-4-6-8-16/h4-9,11-12,18,24H,10,13-14H2,1-3H3/p+2/t18-/m0/s1