(3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[(5-chloranyl-2-oxidanyl-phenyl)methyl]azanium

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[(5-chloranyl-2-oxidanyl-phenyl)methyl]azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(5-chloro-2-hydroxy-phenyl)methyl]ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[(5-chloro-2-hydroxyphenyl)methyl]ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(5-chloro-2-hydroxyphenyl)methyl]azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-(5-chloro-2-hydroxy-benzyl)ammonium Formula: C21H25ClN3O3+ MolecularWeight: 402.8945

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=C(C=CC(=C2)Cl)O)C(=O)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC(=CC(=C1)C[NH2+]CC2=C(C=CC(=C2)Cl)O)C(=O)N3CCCC3

InChI

InChI=1S/C21H24ClN3O3/c1-14(26)24-19-9-15(8-16(11-19)21(28)25-6-2-3-7-25)12-23-13-17-10-18(22)4-5-20(17)27/h4-5,8-11,23,27H,2-3,6-7,12-13H2,1H3,(H,24,26)/p+1