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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-7-oxidanyl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-2,6-diethyl-7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]chromone Formula: C27H32N3O4S+ MolecularWeight: 494.62568

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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+]5CCN(CC5)CCO)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)CC)C3=NC4=CC=CC=C4S3)C[NH+]5CCN(CC5)CCO)O

InChI

InChI=1S/C27H31N3O4S/c1-3-17-15-18-25(33)23(27-28-20-7-5-6-8-22(20)35-27)21(4-2)34-26(18)19(24(17)32)16-30-11-9-29(10-12-30)13-14-31/h5-8,15,31-32H,3-4,9-14,16H2,1-2H3/p+1