(3S)-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N-[[1-(phenylmethyl)pyrazol-4-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N-[(1-benzylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N-[[1-(phenylmethyl)-4-pyrazolyl]methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N-[(1-benzylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N-[(1-benzylpyrazol-4-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C17H23N4O+ MolecularWeight: 299.39072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)C(=O)NCC2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)C(=O)NCC2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C17H22N4O/c22-17(16-7-4-8-18-11-16)19-9-15-10-20-21(13-15)12-14-5-2-1-3-6-14/h1-3,5-6,10,13,16,18H,4,7-9,11-12H2,(H,19,22)/p+1/t16-/m0/s1