(3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[(2S)-1-(3-methoxy-4-oxidanyl-phenyl)propan-2-yl]azanium

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[(2S)-1-(3-methoxy-4-oxidanyl-phenyl)propan-2-yl]azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(1S)-2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-ethyl]ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-[(1S)-2-(4-hydroxy-3-methoxy-phenyl)-1-methyl-ethyl]ammonium Formula: C24H32N3O4+ MolecularWeight: 426.52858

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC(=C(C=C1)O)OC)[NH2+]CC2=CC(=CC(=C2)C(=O)N3CCCC3)NC(=O)C

Isomeric SMILES

C[C@@H](CC1=CC(=C(C=C1)O)OC)[NH2+]CC2=CC(=CC(=C2)C(=O)N3CCCC3)NC(=O)C

InChI

InChI=1S/C24H31N3O4/c1-16(10-18-6-7-22(29)23(13-18)31-3)25-15-19-11-20(14-21(12-19)26-17(2)28)24(30)27-8-4-5-9-27/h6-7,11-14,16,25,29H,4-5,8-10,15H2,1-3H3,(H,26,28)/p+1/t16-/m0/s1