3-(1,3-benzothiazol-2-yl)-2,6-diethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxychromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-chromone Formula: C28H33N2O3S+ MolecularWeight: 477.63822

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C(=O)C(=C(O3)CC)C4=NC5=CC=CC=C5S4

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C(=O)C(=C(O3)CC)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C28H32N2O3S/c1-4-17-15-19-26(32)24(28-29-21-12-7-8-13-23(21)34-28)22(6-3)33-27(19)20(25(17)31)16-30-14-10-9-11-18(30)5-2/h7-8,12-13,15,18,31H,4-6,9-11,14,16H2,1-3H3/p+1/t18-/m0/s1