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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC(CC3)C4=NC5=CC=CC=C5S4

InChI

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