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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]chromone Formula: C27H31N2O3S+ MolecularWeight: 463.61164

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)C[NH+]5CCCC(C5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)C[NH+]5CCC[C@@H](C5)C)O

InChI

InChI=1S/C27H30N2O3S/c1-4-17-13-18-25(31)23(27-28-20-10-6-7-11-22(20)33-27)21(5-2)32-26(18)19(24(17)30)15-29-12-8-9-16(3)14-29/h6-7,10-11,13,16,30H,4-5,8-9,12,14-15H2,1-3H3/p+1/t16-/m0/s1