(3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]azanium

Systemtic Name: (3-acetamido-5-pyrrolidin-1-ylcarbonyl-phenyl)methyl-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]azanium Openeye Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]ammonium CAS Name: [3-acetamido-5-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]ammonium IUPAC Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)phenyl]methyl-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methylpropyl]azanium Traditional Name: [3-acetamido-5-(pyrrolidine-1-carbonyl)benzyl]-[(2S)-3-(1,3-benzodioxol-5-yl)-2-methyl-propyl]ammonium Formula: C25H32N3O4+ MolecularWeight: 438.53928

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)OCO2)C[NH2+]CC3=CC(=CC(=C3)C(=O)N4CCCC4)NC(=O)C

Isomeric SMILES

C[C@@H](CC1=CC2=C(C=C1)OCO2)C[NH2+]CC3=CC(=CC(=C3)C(=O)N4CCCC4)NC(=O)C

InChI

InChI=1S/C25H31N3O4/c1-17(9-19-5-6-23-24(12-19)32-16-31-23)14-26-15-20-10-21(13-22(11-20)27-18(2)29)25(30)28-7-3-4-8-28/h5-6,10-13,17,26H,3-4,7-9,14-16H2,1-2H3,(H,27,29)/p+1/t17-/m0/s1