[2-[(5-methylfuran-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)azanium

Systemtic Name: [2-[(5-methylfuran-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]-(2-methylpropyl)azanium Openeye Name: isobutyl-[2-[(5-methyl-2-furyl)methyl-phenethyl-amino]-2-oxo-ethyl]ammonium CAS Name: [2-[(5-methyl-2-furanyl)methyl-phenethylamino]-2-oxoethyl]-(2-methylpropyl)ammonium IUPAC Name: [2-[(5-methylfuran-2-yl)methyl-phenethylamino]-2-oxoethyl]-(2-methylpropyl)azanium Traditional Name: isobutyl-[2-keto-2-[(5-methyl-2-furyl)methyl-phenethyl-amino]ethyl]ammonium Formula: C20H29N2O2+ MolecularWeight: 329.45646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CCC2=CC=CC=C2)C(=O)C[NH2+]CC(C)C

Isomeric SMILES

CC1=CC=C(O1)CN(CCC2=CC=CC=C2)C(=O)C[NH2+]CC(C)C

InChI

InChI=1S/C20H28N2O2/c1-16(2)13-21-14-20(23)22(15-19-10-9-17(3)24-19)12-11-18-7-5-4-6-8-18/h4-10,16,21H,11-15H2,1-3H3/p+1