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

Systemtic Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazol-1-yl-propanamide Openeye Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazol-1-yl-propanamide CAS Name: N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-(1-pyrazolyl)propanamide IUPAC Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazol-1-ylpropanamide Traditional Name: N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]-3-pyrazol-1-yl-propionamide Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCN3C=CC=N3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CCCC2=CC=CC=C2)NC(=O)CCN3C=CC=N3

InChI

InChI=1S/C20H28N4O/c25-20(11-16-24-15-6-12-21-24)22-19-10-5-14-23(17-19)13-4-9-18-7-2-1-3-8-18/h1-3,6-8,12,15,19H,4-5,9-11,13-14,16-17H2,(H,22,25)/p+1/t19-/m0/s1