[6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(3-phenylpropyl)azanium

Systemtic Name: [6-chloranyl-3-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl]methyl-(3-phenylpropyl)azanium Openeye Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxo-ethyl)-4-methyl-2-oxo-chromen-8-yl]methyl-(3-phenylpropyl)ammonium CAS Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxo-1-benzopyran-8-yl]methyl-(3-phenylpropyl)ammonium IUPAC Name: [6-chloro-7-hydroxy-3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-8-yl]methyl-(3-phenylpropyl)azanium Traditional Name: [6-chloro-7-hydroxy-2-keto-3-(2-keto-2-methoxy-ethyl)-4-methyl-chromen-8-yl]methyl-(3-phenylpropyl)ammonium Formula: C23H25ClNO5+ MolecularWeight: 430.9013

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCCC3=CC=CC=C3)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)O)C[NH2+]CCCC3=CC=CC=C3)CC(=O)OC

InChI

InChI=1S/C23H24ClNO5/c1-14-16-11-19(24)21(27)18(13-25-10-6-9-15-7-4-3-5-8-15)22(16)30-23(28)17(14)12-20(26)29-2/h3-5,7-8,11,25,27H,6,9-10,12-13H2,1-2H3/p+1