[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(pyridin-4-ylmethyl)azanium

Systemtic Name: [(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-(pyridin-4-ylmethyl)azanium Openeye Name: [(3S)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl-(4-pyridylmethyl)ammonium CAS Name: [(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl-(pyridin-4-ylmethyl)ammonium IUPAC Name: [(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl-(pyridin-4-ylmethyl)azanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl-(4-pyridylmethyl)ammonium Formula: C20H26N3O2+ MolecularWeight: 340.43934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2CCCC(C2=O)(C[NH2+]CC3=CC=NC=C3)O

Isomeric SMILES

CC1=CC(=CC=C1)CN2CCC[C@@](C2=O)(C[NH2+]CC3=CC=NC=C3)O

InChI

InChI=1S/C20H25N3O2/c1-16-4-2-5-18(12-16)14-23-11-3-8-20(25,19(23)24)15-22-13-17-6-9-21-10-7-17/h2,4-7,9-10,12,22,25H,3,8,11,13-15H2,1H3/p+1/t20-/m0/s1