2-[3-[furan-3-ylcarbonyl(propyl)amino]propanoyl-(phenylmethyl)amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[furan-3-ylcarbonyl(propyl)amino]propanoyl-(phenylmethyl)amino]ethyl-dimethyl-azanium Openeye Name: 2-[benzyl-[3-[furan-3-carbonyl(propyl)amino]propanoyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[3-[[3-furanyl(oxo)methyl]-propylamino]-1-oxopropyl]-(phenylmethyl)amino]ethyl-dimethylammonium IUPAC Name: 2-[benzyl-[3-[furan-3-carbonyl(propyl)amino]propanoyl]amino]ethyl-dimethylazanium Traditional Name: 2-[benzyl-[3-[3-furoyl(propyl)amino]propanoyl]amino]ethyl-dimethyl-ammonium Formula: C22H32N3O3+ MolecularWeight: 386.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1)C(=O)C2=COC=C2

Isomeric SMILES

CCCN(CCC(=O)N(CC[NH+](C)C)CC1=CC=CC=C1)C(=O)C2=COC=C2

InChI

InChI=1S/C22H31N3O3/c1-4-12-24(22(27)20-11-16-28-18-20)13-10-21(26)25(15-14-23(2)3)17-19-8-6-5-7-9-19/h5-9,11,16,18H,4,10,12-15,17H2,1-3H3/p+1