(3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-(1-phenethylpiperidin-1-ium-4-yl)azanium

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-(1-phenethylpiperidin-1-ium-4-yl)azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-(1-phenethylpiperidin-1-ium-4-yl)ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-(1-phenethyl-4-piperidin-1-iumyl)ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-(1-phenethylpiperidin-1-ium-4-yl)azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-(1-phenethylpiperidin-1-ium-4-yl)ammonium Formula: C27H38N4O2+2 MolecularWeight: 450.61622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]C2CC[NH+](CC2)CCC3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C27H36N4O2/c1-21(32)29-26-18-23(17-24(19-26)27(33)31-12-5-6-13-31)20-28-25-10-15-30(16-11-25)14-9-22-7-3-2-4-8-22/h2-4,7-8,17-19,25,28H,5-6,9-16,20H2,1H3,(H,29,32)/p+2