dimethyl-[3-[[5-(3-phenylpropanoylamino)-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl]azanium

Systemtic Name: dimethyl-[3-[[5-(3-phenylpropanoylamino)-2-pyrrolidin-1-yl-phenyl]carbonylamino]propyl]azanium Openeye Name: dimethyl-[3-[[5-(3-phenylpropanoylamino)-2-pyrrolidin-1-yl-benzoyl]amino]propyl]ammonium CAS Name: dimethyl-[3-[[oxo-[5-[(1-oxo-3-phenylpropyl)amino]-2-(1-pyrrolidinyl)phenyl]methyl]amino]propyl]ammonium IUPAC Name: dimethyl-[3-[[5-(3-phenylpropanoylamino)-2-pyrrolidin-1-ylbenzoyl]amino]propyl]azanium Traditional Name: 3-[[5-(hydrocinnamoylamino)-2-pyrrolidino-benzoyl]amino]propyl-dimethyl-ammonium Formula: C25H35N4O2+ MolecularWeight: 423.571

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

C[NH+](C)CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CCC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C25H34N4O2/c1-28(2)16-8-15-26-25(31)22-19-21(12-13-23(22)29-17-6-7-18-29)27-24(30)14-11-20-9-4-3-5-10-20/h3-5,9-10,12-13,19H,6-8,11,14-18H2,1-2H3,(H,26,31)(H,27,30)/p+1