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

Systemtic Name: 3-methylbutyl-[2-[(5-methylfuran-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]azanium Openeye Name: isopentyl-[2-[(5-methyl-2-furyl)methyl-phenethyl-amino]-2-oxo-ethyl]ammonium CAS Name: 3-methylbutyl-[2-[(5-methyl-2-furanyl)methyl-phenethylamino]-2-oxoethyl]ammonium IUPAC Name: 3-methylbutyl-[2-[(5-methylfuran-2-yl)methyl-phenethylamino]-2-oxoethyl]azanium Traditional Name: isoamyl-[2-keto-2-[(5-methyl-2-furyl)methyl-phenethyl-amino]ethyl]ammonium Formula: C21H31N2O2+ MolecularWeight: 343.48304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O2/c1-17(2)11-13-22-15-21(24)23(16-20-10-9-18(3)25-20)14-12-19-7-5-4-6-8-19/h4-10,17,22H,11-16H2,1-3H3/p+1