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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-isopropyl-chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-7-hydroxy-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-7-hydroxy-2-isopropyl-chromone Formula: C29H35N2O3S+ MolecularWeight: 491.6648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H34N2O3S/c1-5-18-15-20-26(33)24(29-30-22-12-7-8-13-23(22)35-29)27(17(3)4)34-28(20)21(25(18)32)16-31-14-10-9-11-19(31)6-2/h7-8,12-13,15,17,19,32H,5-6,9-11,14,16H2,1-4H3/p+1/t19-/m0/s1