2-azanyl-4-methyl-N-[3-oxidanyl-1-(phenylcarbonyl)azepan-1-ium-4-yl]pentanamide

Systemtic Name: 2-azanyl-4-methyl-N-[3-oxidanyl-1-(phenylcarbonyl)azepan-1-ium-4-yl]pentanamide Openeye Name: 2-amino-N-(1-benzoyl-3-hydroxy-azepan-1-ium-4-yl)-4-methyl-pentanamide CAS Name: 2-amino-N-(1-benzoyl-3-hydroxy-4-azepan-1-iumyl)-4-methylpentanamide IUPAC Name: 2-amino-N-(1-benzoyl-3-hydroxyazepan-1-ium-4-yl)-4-methylpentanamide Traditional Name: 2-amino-N-(1-benzoyl-3-hydroxy-azepan-1-ium-4-yl)-4-methyl-valeramide Formula: C19H30N3O3+ MolecularWeight: 348.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1CCC[NH+](CC1O)C(=O)C2=CC=CC=C2)N

Isomeric SMILES

CC(C)CC(C(=O)NC1CCC[NH+](CC1O)C(=O)C2=CC=CC=C2)N

InChI

InChI=1S/C19H29N3O3/c1-13(2)11-15(20)18(24)21-16-9-6-10-22(12-17(16)23)19(25)14-7-4-3-5-8-14/h3-5,7-8,13,15-17,23H,6,9-12,20H2,1-2H3,(H,21,24)/p+1