N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyrazol-1-yl-propanamide

Systemtic Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyrazol-1-yl-propanamide Openeye Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyrazol-1-yl-propanamide CAS Name: N-[(3S)-1-phenethyl-3-piperidin-1-iumyl]-3-(1-pyrazolyl)propanamide IUPAC Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyrazol-1-ylpropanamide Traditional Name: N-[(3S)-1-phenethylpiperidin-1-ium-3-yl]-3-pyrazol-1-yl-propionamide Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCC2=CC=CC=C2)NC(=O)CCN3C=CC=N3

InChI

InChI=1S/C19H26N4O/c24-19(10-15-23-13-5-11-20-23)21-18-8-4-12-22(16-18)14-9-17-6-2-1-3-7-17/h1-3,5-7,11,13,18H,4,8-10,12,14-16H2,(H,21,24)/p+1/t18-/m0/s1