dimethyl-[2-[3-[(2-methylfuran-3-yl)carbonylamino]propanoyl-(phenylmethyl)amino]ethyl]azanium

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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