(3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[[4-[methyl(phenyl)amino]phenyl]methyl]azanium

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[[4-[methyl(phenyl)amino]phenyl]methyl]azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[[4-(N-methylanilino)phenyl]methyl]ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[[4-(N-methylanilino)phenyl]methyl]ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[[4-(N-methylanilino)phenyl]methyl]azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-[4-(N-methylanilino)benzyl]ammonium Formula: C28H33N4O2+ MolecularWeight: 457.58722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)N(C)C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)N(C)C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C28H32N4O2/c1-21(33)30-25-17-23(16-24(18-25)28(34)32-14-6-7-15-32)20-29-19-22-10-12-27(13-11-22)31(2)26-8-4-3-5-9-26/h3-5,8-13,16-18,29H,6-7,14-15,19-20H2,1-2H3,(H,30,33)/p+1