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

Systemtic Name: (3S)-3-[2-(2,4-dimethylphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: (3S)-3-[2-(2,4-dimethylphenyl)-2-oxo-ethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: (3S)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: (3S)-3-[2-(2,4-dimethylphenyl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: (3S)-3-[2-(2,4-dimethylphenyl)-2-keto-ethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)oxindole Formula: C24H29N2O3+ MolecularWeight: 393.49866

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3/c1-17-10-11-19(18(2)14-17)22(27)15-24(29)20-8-4-5-9-21(20)26(23(24)28)16-25-12-6-3-7-13-25/h4-5,8-11,14,29H,3,6-7,12-13,15-16H2,1-2H3/p+1/t24-/m0/s1