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

Systemtic Name: 2-[4-(azepan-1-ylcarbonyl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)ethanamide Openeye Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide CAS Name: N-[anilino(oxo)methyl]-2-[4-[1-azepanyl(oxo)methyl]-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide Traditional Name: 2-[4-(azepane-1-carbonyl)piperidin-1-ium-1-yl]-N-(phenylcarbamoyl)acetamide Formula: C21H31N4O3+ MolecularWeight: 387.49584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2CC[NH+](CC2)CC(=O)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O3/c26-19(23-21(28)22-18-8-4-3-5-9-18)16-24-14-10-17(11-15-24)20(27)25-12-6-1-2-7-13-25/h3-5,8-9,17H,1-2,6-7,10-16H2,(H2,22,23,26,28)/p+1