[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium

Systemtic Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]piperidin-3-yl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-piperidyl]-methyl-ammonium CAS Name: [(3S)-1-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methyl]-3-piperidinyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[(3S)-1-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-methylazanium Traditional Name: benzyl-[(3S)-1-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-3-piperidyl]-methyl-ammonium Formula: C21H33N4+ MolecularWeight: 341.51352

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN2CCCC(C2)[NH+](C)CC3=CC=CC=C3)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN2CCC[C@@H](C2)[NH+](C)CC3=CC=CC=C3)C

InChI

InChI=1S/C21H32N4/c1-5-25-18(3)21(17(2)22-25)16-24-13-9-12-20(15-24)23(4)14-19-10-7-6-8-11-19/h6-8,10-11,20H,5,9,12-16H2,1-4H3/p+1/t20-/m0/s1