(3S)-3-oxidanyl-3-(2-oxidanylidenepropyl)-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one

Systemtic Name: (3S)-3-oxidanyl-3-(2-oxidanylidenepropyl)-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one Openeye Name: (3S)-3-acetonyl-3-hydroxy-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indolin-2-one CAS Name: (3S)-3-hydroxy-3-(2-oxopropyl)-1-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2-indolone IUPAC Name: (3S)-3-hydroxy-3-(2-oxopropyl)-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]indol-2-one Traditional Name: (3S)-3-acetonyl-3-hydroxy-1-[(4-phenylpiperazin-1-ium-1-yl)methyl]oxindole Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)O

Isomeric SMILES

CC(=O)C[C@@]1(C2=CC=CC=C2N(C1=O)C[NH+]3CCN(CC3)C4=CC=CC=C4)O

InChI

InChI=1S/C22H25N3O3/c1-17(26)15-22(28)19-9-5-6-10-20(19)25(21(22)27)16-23-11-13-24(14-12-23)18-7-3-2-4-8-18/h2-10,28H,11-16H2,1H3/p+1/t22-/m0/s1