2,3-dihydro-1H-inden-2-yl-[[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium

Systemtic Name: 2,3-dihydro-1H-inden-2-yl-[[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl]azanium Openeye Name: [(3S)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl-indan-2-yl-ammonium CAS Name: 2,3-dihydro-1H-inden-2-yl-[[(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl]ammonium IUPAC Name: 2,3-dihydro-1H-inden-2-yl-[[(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl]azanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl-indan-2-yl-ammonium Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH2+]C3CC4=CC=CC=C4C3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH2+]C3CC4=CC=CC=C4C3)O

InChI

InChI=1S/C23H28N2O2/c1-17-6-4-7-18(12-17)15-25-11-5-10-23(27,22(25)26)16-24-21-13-19-8-2-3-9-20(19)14-21/h2-4,6-9,12,21,24,27H,5,10-11,13-16H2,1H3/p+1/t23-/m0/s1