3-methyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1,5,6,7-tetrahydroindol-4-one

Systemtic Name: 3-methyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-yl]carbonyl-1,5,6,7-tetrahydroindol-4-one Openeye Name: 3-methyl-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one CAS Name: 3-methyl-2-[oxo-[4-[(2-phenyl-4-thiazolyl)methyl]-1-piperazin-4-iumyl]methyl]-1,5,6,7-tetrahydroindol-4-one IUPAC Name: 3-methyl-2-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one Traditional Name: 3-methyl-2-[4-[(2-phenylthiazol-4-yl)methyl]piperazin-4-ium-1-carbonyl]-1,5,6,7-tetrahydroindol-4-one Formula: C24H27N4O2S+ MolecularWeight: 435.56178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(NC2=C1C(=O)CCC2)C(=O)N3CC[NH+](CC3)CC4=CSC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N4O2S/c1-16-21-19(8-5-9-20(21)29)26-22(16)24(30)28-12-10-27(11-13-28)14-18-15-31-23(25-18)17-6-3-2-4-7-17/h2-4,6-7,15,26H,5,8-14H2,1H3/p+1