(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(3-phenylsulfanylpropyl)azanium

Systemtic Name: (6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl-(3-phenylsulfanylpropyl)azanium Openeye Name: (6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl-(3-phenylsulfanylpropyl)ammonium CAS Name: (6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl-[3-(phenylthio)propyl]ammonium IUPAC Name: (6-chloro-7-methyl-2-oxochromen-4-yl)methyl-(3-phenylsulfanylpropyl)azanium Traditional Name: (6-chloro-2-keto-7-methyl-chromen-4-yl)methyl-[3-(phenylthio)propyl]ammonium Formula: C20H21ClNO2S+ MolecularWeight: 374.90424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCCSC3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH2+]CCCSC3=CC=CC=C3)Cl

InChI

InChI=1S/C20H20ClNO2S/c1-14-10-19-17(12-18(14)21)15(11-20(23)24-19)13-22-8-5-9-25-16-6-3-2-4-7-16/h2-4,6-7,10-12,22H,5,8-9,13H2,1H3/p+1