dimethyl-[2-[3-[(2-methylfuran-3-yl)carbonyl-(phenylmethyl)amino]propanoylamino]ethyl]azanium

Systemtic Name: dimethyl-[2-[3-[(2-methylfuran-3-yl)carbonyl-(phenylmethyl)amino]propanoylamino]ethyl]azanium Openeye Name: 2-[3-[benzyl-(2-methylfuran-3-carbonyl)amino]propanoylamino]ethyl-dimethyl-ammonium CAS Name: dimethyl-[2-[[3-[[(2-methyl-3-furanyl)-oxomethyl]-(phenylmethyl)amino]-1-oxopropyl]amino]ethyl]ammonium IUPAC Name: 2-[3-[benzyl-(2-methylfuran-3-carbonyl)amino]propanoylamino]ethyl-dimethylazanium Traditional Name: 2-[3-[benzyl-(2-methyl-3-furoyl)amino]propanoylamino]ethyl-dimethyl-ammonium Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N(CCC(=O)NCC[NH+](C)C)CC2=CC=CC=C2

Isomeric SMILES

CC1=C(C=CO1)C(=O)N(CCC(=O)NCC[NH+](C)C)CC2=CC=CC=C2

InChI

InChI=1S/C20H27N3O3/c1-16-18(10-14-26-16)20(25)23(15-17-7-5-4-6-8-17)12-9-19(24)21-11-13-22(2)3/h4-8,10,14H,9,11-13,15H2,1-3H3,(H,21,24)/p+1