methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]-(thiophen-3-ylmethyl)azanium Openeye Name: (7-hydroxy-8-methyl-2-oxo-chromen-4-yl)methyl-methyl-(3-thienylmethyl)ammonium CAS Name: (7-hydroxy-8-methyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: (7-hydroxy-8-methyl-2-oxochromen-4-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: (7-hydroxy-2-keto-8-methyl-chromen-4-yl)methyl-methyl-(3-thenyl)ammonium Formula: C17H18NO3S+ MolecularWeight: 316.39472

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=CSC=C3)O

Isomeric SMILES

CC1=C(C=CC2=C1OC(=O)C=C2C[NH+](C)CC3=CSC=C3)O

InChI

InChI=1S/C17H17NO3S/c1-11-15(19)4-3-14-13(7-16(20)21-17(11)14)9-18(2)8-12-5-6-22-10-12/h3-7,10,19H,8-9H2,1-2H3/p+1