(3S)-3-oxidanyl-3-(2-oxidanylidenepropyl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-one

Systemtic Name: (3S)-3-oxidanyl-3-(2-oxidanylidenepropyl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Openeye Name: (3S)-3-acetonyl-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)indolin-2-one CAS Name: (3S)-3-hydroxy-3-(2-oxopropyl)-1-(1-piperidin-1-iumylmethyl)-2-indolone IUPAC Name: (3S)-3-hydroxy-3-(2-oxopropyl)-1-(piperidin-1-ium-1-ylmethyl)indol-2-one Traditional Name: (3S)-3-acetonyl-3-hydroxy-1-(piperidin-1-ium-1-ylmethyl)oxindole Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC1(C2=CC=CC=C2N(C1=O)C[NH+]3CCCCC3)O

Isomeric SMILES

CC(=O)C[C@@]1(C2=CC=CC=C2N(C1=O)C[NH+]3CCCCC3)O

InChI

InChI=1S/C17H22N2O3/c1-13(20)11-17(22)14-7-3-4-8-15(14)19(16(17)21)12-18-9-5-2-6-10-18/h3-4,7-8,22H,2,5-6,9-12H2,1H3/p+1/t17-/m0/s1