[(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium

Systemtic Name: [(3S)-1-[(3-methylphenyl)methyl]-3-oxidanyl-2-oxidanylidene-piperidin-3-yl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium Openeye Name: [(3S)-3-hydroxy-1-(m-tolylmethyl)-2-oxo-3-piperidyl]methyl-[(5-methylpyrazin-2-yl)methyl]ammonium CAS Name: [(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxo-3-piperidinyl]methyl-[(5-methyl-2-pyrazinyl)methyl]ammonium IUPAC Name: [(3S)-3-hydroxy-1-[(3-methylphenyl)methyl]-2-oxopiperidin-3-yl]methyl-[(5-methylpyrazin-2-yl)methyl]azanium Traditional Name: [(3S)-3-hydroxy-2-keto-1-(3-methylbenzyl)-3-piperidyl]methyl-[(5-methylpyrazin-2-yl)methyl]ammonium Formula: C20H27N4O2+ MolecularWeight: 355.45398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O2/c1-15-5-3-6-17(9-15)13-24-8-4-7-20(26,19(24)25)14-21-11-18-12-22-16(2)10-23-18/h3,5-6,9-10,12,21,26H,4,7-8,11,13-14H2,1-2H3/p+1/t20-/m0/s1