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

Systemtic Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidin-1-iumyl]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-ium-1-yl]methyl]-7-methoxy-coumarin Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCCC(C3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+]3CCC[C@H](C3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N2O3S/c1-27-17-8-9-18-16(11-22(26)28-20(18)12-17)14-25-10-4-5-15(13-25)23-24-19-6-2-3-7-21(19)29-23/h2-3,6-9,11-12,15H,4-5,10,13-14H2,1H3/p+1/t15-/m1/s1