N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide

Systemtic Name: N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide Openeye Name: N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propanamide CAS Name: N-[[(3S)-1-[(1-methyl-4-pyrazolyl)methyl]-3-piperidin-1-iumyl]methyl]-3-phenylpropanamide IUPAC Name: N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenylpropanamide Traditional Name: N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]piperidin-1-ium-3-yl]methyl]-3-phenyl-propionamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C[NH+]2CCCC(C2)CNC(=O)CCC3=CC=CC=C3

Isomeric SMILES

CN1C=C(C=N1)C[NH+]2CCC[C@H](C2)CNC(=O)CCC3=CC=CC=C3

InChI

InChI=1S/C20H28N4O/c1-23-14-19(13-22-23)16-24-11-5-8-18(15-24)12-21-20(25)10-9-17-6-3-2-4-7-17/h2-4,6-7,13-14,18H,5,8-12,15-16H2,1H3,(H,21,25)/p+1/t18-/m0/s1