2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide CAS Name: 2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]-N-[(2S)-2-phenylpropyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-[(2S)-2-phenylpropyl]acetamide Formula: C23H36N3O2+ MolecularWeight: 386.55084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CNC(=O)C[NH+]1CCC(CC1)C(=O)N2CCCCCC2)C3=CC=CC=C3

Isomeric SMILES

C[C@H](CNC(=O)C[NH+]1CCC(CC1)C(=O)N2CCCCCC2)C3=CC=CC=C3

InChI

InChI=1S/C23H35N3O2/c1-19(20-9-5-4-6-10-20)17-24-22(27)18-25-15-11-21(12-16-25)23(28)26-13-7-2-3-8-14-26/h4-6,9-10,19,21H,2-3,7-8,11-18H2,1H3,(H,24,27)/p+1/t19-/m1/s1