methyl-(phenylmethyl)-[(3S)-1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]azanium

Systemtic Name: methyl-(phenylmethyl)-[(3S)-1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]azanium Openeye Name: benzyl-methyl-[(3S)-1-[3-(1H-pyrazol-4-yl)propanoyl]-3-piperidyl]ammonium CAS Name: methyl-[(3S)-1-[1-oxo-3-(1H-pyrazol-4-yl)propyl]-3-piperidinyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[(3S)-1-[3-(1H-pyrazol-4-yl)propanoyl]piperidin-3-yl]azanium Traditional Name: benzyl-methyl-[(3S)-1-[3-(1H-pyrazol-4-yl)propanoyl]-3-piperidyl]ammonium Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1)C2CCCN(C2)C(=O)CCC3=CNN=C3

Isomeric SMILES

C[NH+](CC1=CC=CC=C1)[C@H]2CCCN(C2)C(=O)CCC3=CNN=C3

InChI

InChI=1S/C19H26N4O/c1-22(14-16-6-3-2-4-7-16)18-8-5-11-23(15-18)19(24)10-9-17-12-20-21-13-17/h2-4,6-7,12-13,18H,5,8-11,14-15H2,1H3,(H,20,21)/p+1/t18-/m0/s1