(7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: (7,8-dimethyl-2-oxidanylidene-chromen-4-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: (7,8-dimethyl-2-oxo-chromen-4-yl)methyl-methyl-(3-thienylmethyl)ammonium CAS Name: (7,8-dimethyl-2-oxo-1-benzopyran-4-yl)methyl-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: (7,8-dimethyl-2-oxochromen-4-yl)methyl-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: (2-keto-7,8-dimethyl-chromen-4-yl)methyl-methyl-(3-thenyl)ammonium Formula: C18H20NO2S+ MolecularWeight: 314.4219

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC3=CSC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC3=CSC=C3)C

InChI

InChI=1S/C18H19NO2S/c1-12-4-5-16-15(8-17(20)21-18(16)13(12)2)10-19(3)9-14-6-7-22-11-14/h4-8,11H,9-10H2,1-3H3/p+1