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

Systemtic Name: 6-ethyl-8-[(R)-(4-methylpiperazin-4-ium-1-yl)-phenyl-methyl]-3-(4-methyl-1,3-thiazol-2-yl)-7-oxidanyl-chromen-4-one Openeye Name: 6-ethyl-7-hydroxy-8-[(R)-(4-methylpiperazin-4-ium-1-yl)-phenyl-methyl]-3-(4-methylthiazol-2-yl)chromen-4-one CAS Name: 6-ethyl-7-hydroxy-8-[(R)-(4-methyl-1-piperazin-4-iumyl)-phenylmethyl]-3-(4-methyl-2-thiazolyl)-1-benzopyran-4-one IUPAC Name: 6-ethyl-7-hydroxy-8-[(R)-(4-methylpiperazin-4-ium-1-yl)-phenylmethyl]-3-(4-methyl-1,3-thiazol-2-yl)chromen-4-one Traditional Name: 6-ethyl-7-hydroxy-8-[(R)-(4-methylpiperazin-4-ium-1-yl)-phenyl-methyl]-3-(4-methylthiazol-2-yl)chromone Formula: C27H30N3O3S+ MolecularWeight: 476.6104

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)C(C4=CC=CC=C4)N5CC[NH+](CC5)C)O

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=NC(=CS3)C)[C@@H](C4=CC=CC=C4)N5CC[NH+](CC5)C)O

InChI

InChI=1S/C27H29N3O3S/c1-4-18-14-20-25(32)21(27-28-17(2)16-34-27)15-33-26(20)22(24(18)31)23(19-8-6-5-7-9-19)30-12-10-29(3)11-13-30/h5-9,14-16,23,31H,4,10-13H2,1-3H3/p+1/t23-/m1/s1