(3S)-3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-oxidanyl-indol-2-one

Systemtic Name: (3S)-3-[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl]-1-[(4-methylpiperazin-4-ium-1-yl)methyl]-3-oxidanyl-indol-2-one Openeye Name: (3S)-3-[2-(5-bromo-2-thienyl)-2-oxo-ethyl]-3-hydroxy-1-[(4-methylpiperazin-4-ium-1-yl)methyl]indolin-2-one CAS Name: (3S)-3-[2-(5-bromo-2-thiophenyl)-2-oxoethyl]-3-hydroxy-1-[(4-methyl-1-piperazin-4-iumyl)methyl]-2-indolone IUPAC Name: (3S)-3-[2-(5-bromothiophen-2-yl)-2-oxoethyl]-3-hydroxy-1-[(4-methylpiperazin-4-ium-1-yl)methyl]indol-2-one Traditional Name: (3S)-3-[2-(5-bromo-2-thienyl)-2-keto-ethyl]-3-hydroxy-1-[(4-methylpiperazin-4-ium-1-yl)methyl]oxindole Formula: C20H23BrN3O3S+ MolecularWeight: 465.38392

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CN2C3=CC=CC=C3C(C2=O)(CC(=O)C4=CC=C(S4)Br)O

Isomeric SMILES

C[NH+]1CCN(CC1)CN2C3=CC=CC=C3[C@](C2=O)(CC(=O)C4=CC=C(S4)Br)O

InChI

InChI=1S/C20H22BrN3O3S/c1-22-8-10-23(11-9-22)13-24-15-5-3-2-4-14(15)20(27,19(24)26)12-16(25)17-6-7-18(21)28-17/h2-7,27H,8-13H2,1H3/p+1/t20-/m0/s1