(3S)-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

Systemtic Name: (3S)-3-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: (3S)-3-hydroxy-3-[2-oxo-2-(p-tolyl)ethyl]-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: (3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: (3S)-3-hydroxy-3-[2-(4-methylphenyl)-2-oxoethyl]-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: (3S)-3-hydroxy-3-[2-keto-2-(p-tolyl)ethyl]-1-(piperidin-1-ium-1-ylmethyl)oxindole Formula: C23H27N2O3+ MolecularWeight: 379.47208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[C@@]2(C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4)O

InChI

InChI=1S/C23H26N2O3/c1-17-9-11-18(12-10-17)21(26)15-23(28)19-7-3-4-8-20(19)25(22(23)27)16-24-13-5-2-6-14-24/h3-4,7-12,28H,2,5-6,13-16H2,1H3/p+1/t23-/m0/s1