4-[(3S)-3-(phenethylcarbamoyl)piperidin-1-ium-1-yl]-N-propyl-piperidine-1-carboxamide

Systemtic Name: 4-[(3S)-3-(phenethylcarbamoyl)piperidin-1-ium-1-yl]-N-propyl-piperidine-1-carboxamide Openeye Name: 4-[(3S)-3-(phenethylcarbamoyl)piperidin-1-ium-1-yl]-N-propyl-piperidine-1-carboxamide CAS Name: 4-[(3S)-3-[oxo-(phenethylamino)methyl]-1-piperidin-1-iumyl]-N-propyl-1-piperidinecarboxamide IUPAC Name: 4-[(3S)-3-(phenethylcarbamoyl)piperidin-1-ium-1-yl]-N-propylpiperidine-1-carboxamide Traditional Name: 4-[(3S)-3-(phenethylcarbamoyl)piperidin-1-ium-1-yl]-N-propyl-piperidine-1-carboxamide Formula: C23H37N4O2+ MolecularWeight: 401.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)N1CCC(CC1)[NH+]2CCCC(C2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCNC(=O)N1CCC(CC1)[NH+]2CCC[C@@H](C2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H36N4O2/c1-2-13-25-23(29)26-16-11-21(12-17-26)27-15-6-9-20(18-27)22(28)24-14-10-19-7-4-3-5-8-19/h3-5,7-8,20-21H,2,6,9-18H2,1H3,(H,24,28)(H,25,29)/p+1/t20-/m0/s1