4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[4-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7,8-dimethylchromen-2-one Traditional Name: 4-[[4-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7,8-dimethyl-coumarin Formula: C24H25N2O2S+ MolecularWeight: 405.5325

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4)C

InChI

InChI=1S/C24H24N2O2S/c1-15-7-8-19-18(13-22(27)28-23(19)16(15)2)14-26-11-9-17(10-12-26)24-25-20-5-3-4-6-21(20)29-24/h3-8,13,17H,9-12,14H2,1-2H3/p+1