methyl-[(3S)-1-[2-(3-methylpyrazol-1-yl)ethanoyl]piperidin-3-yl]-(phenylmethyl)azanium

Systemtic Name: methyl-[(3S)-1-[2-(3-methylpyrazol-1-yl)ethanoyl]piperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3S)-1-[2-(3-methylpyrazol-1-yl)acetyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[2-(3-methyl-1-pyrazolyl)-1-oxoethyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-[2-(3-methylpyrazol-1-yl)acetyl]piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[2-(3-methylpyrazol-1-yl)acetyl]-3-piperidyl]ammonium Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CC(=O)N2CCCC(C2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CC1=NN(C=C1)CC(=O)N2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N4O/c1-16-10-12-23(20-16)15-19(24)22-11-6-9-18(14-22)21(2)13-17-7-4-3-5-8-17/h3-5,7-8,10,12,18H,6,9,11,13-15H2,1-2H3/p+1/t18-/m0/s1