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

Systemtic Name: (3S)-3-[2-(4-ethylphenyl)-2-oxidanylidene-ethyl]-3-oxidanyl-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: (3S)-3-[2-(4-ethylphenyl)-2-oxo-ethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: (3S)-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: (3S)-3-[2-(4-ethylphenyl)-2-oxoethyl]-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: (3S)-3-[2-(4-ethylphenyl)-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:

CCC1=CC=C(C=C1)C(=O)CC2(C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4)O

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C[C@@]2(C3=CC=CC=C3N(C2=O)C[NH+]4CCCCC4)O

InChI

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