(3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[[5-(2-chlorophenyl)furan-2-yl]methyl]azanium

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[[5-(2-chlorophenyl)furan-2-yl]methyl]azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[[5-(2-chlorophenyl)-2-furyl]methyl]ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[[5-(2-chlorophenyl)-2-furanyl]methyl]ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[[5-(2-chlorophenyl)furan-2-yl]methyl]azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-[[5-(2-chlorophenyl)-2-furyl]methyl]ammonium Formula: C25H27ClN3O3+ MolecularWeight: 452.95318

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=C(O2)C3=CC=CC=C3Cl)C(=O)N4CCCC4

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=C(O2)C3=CC=CC=C3Cl)C(=O)N4CCCC4

InChI

InChI=1S/C25H26ClN3O3/c1-17(30)28-20-13-18(12-19(14-20)25(31)29-10-4-5-11-29)15-27-16-21-8-9-24(32-21)22-6-2-3-7-23(22)26/h2-3,6-9,12-14,27H,4-5,10-11,15-16H2,1H3,(H,28,30)/p+1