1-ethanoyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]piperidine-4-carboxamide

Systemtic Name: 1-ethanoyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]piperidine-4-carboxamide Openeye Name: 1-acetyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]piperidine-4-carboxamide CAS Name: 1-acetyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]isonipecotamide Formula: C22H34N3O2+ MolecularWeight: 372.52426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)C(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(=O)N1CCC(CC1)C(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C22H33N3O2/c1-18(26)25-15-11-20(12-16-25)22(27)23-21-10-6-14-24(17-21)13-5-9-19-7-3-2-4-8-19/h2-4,7-8,20-21H,5-6,9-17H2,1H3,(H,23,27)/p+1/t21-/m0/s1