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

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-7-oxidanyl-2-propan-2-yl-chromen-4-one Openeye Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromen-4-one CAS Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-propan-2-yl-1-benzopyran-4-one IUPAC Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-8-[(4-methylpiperazin-4-ium-1-yl)methyl]-2-propan-2-ylchromen-4-one Traditional Name: 3-(1,3-benzothiazol-2-yl)-6-ethyl-7-hydroxy-2-isopropyl-8-[(4-methylpiperazin-4-ium-1-yl)methyl]chromone Formula: C27H32N3O3S+ MolecularWeight: 478.62628

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4S3)CN5CC[NH+](CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C(C)C)C3=NC4=CC=CC=C4S3)CN5CC[NH+](CC5)C)O

InChI

InChI=1S/C27H31N3O3S/c1-5-17-14-18-24(32)22(27-28-20-8-6-7-9-21(20)34-27)25(16(2)3)33-26(18)19(23(17)31)15-30-12-10-29(4)11-13-30/h6-9,14,16,31H,5,10-13,15H2,1-4H3/p+1