[3-[(3,5-dimethylphenyl)-(furan-2-ylmethyl)amino]-3-oxidanylidene-propyl]azanium

Systemtic Name: [3-[(3,5-dimethylphenyl)-(furan-2-ylmethyl)amino]-3-oxidanylidene-propyl]azanium Openeye Name: [3-[N-(2-furylmethyl)-3,5-dimethyl-anilino]-3-oxo-propyl]ammonium CAS Name: [3-[N-(2-furanylmethyl)-3,5-dimethylanilino]-3-oxopropyl]ammonium IUPAC Name: [3-[N-(furan-2-ylmethyl)-3,5-dimethylanilino]-3-oxopropyl]azanium Traditional Name: [3-[N-(2-furfuryl)-3,5-dimethyl-anilino]-3-keto-propyl]ammonium Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N(CC2=CC=CO2)C(=O)CC[NH3+])C

Isomeric SMILES

CC1=CC(=CC(=C1)N(CC2=CC=CO2)C(=O)CC[NH3+])C

InChI

InChI=1S/C16H20N2O2/c1-12-8-13(2)10-14(9-12)18(16(19)5-6-17)11-15-4-3-7-20-15/h3-4,7-10H,5-6,11,17H2,1-2H3/p+1