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

Systemtic Name: methyl-[(3S)-1-(2-methylpyrazol-3-yl)carbonylpiperidin-3-yl]-(phenylmethyl)azanium Openeye Name: benzyl-methyl-[(3S)-1-(2-methylpyrazole-3-carbonyl)-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[(2-methyl-3-pyrazolyl)-oxomethyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-(2-methylpyrazole-3-carbonyl)-3-piperidyl]ammonium Formula: C18H25N4O+ MolecularWeight: 313.4173

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC=N1)C(=O)N2CCCC(C2)[NH+](C)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=CC=N1)C(=O)N2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3

InChI

InChI=1S/C18H24N4O/c1-20(13-15-7-4-3-5-8-15)16-9-6-12-22(14-16)18(23)17-10-11-19-21(17)2/h3-5,7-8,10-11,16H,6,9,12-14H2,1-2H3/p+1/t16-/m0/s1