(2-fluorophenyl)methyl-[2-[(5-methylfuran-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium

Systemtic Name: (2-fluorophenyl)methyl-[2-[(5-methylfuran-2-yl)methyl-phenethyl-amino]-2-oxidanylidene-ethyl]-prop-2-enyl-azanium Openeye Name: allyl-[(2-fluorophenyl)methyl]-[2-[(5-methyl-2-furyl)methyl-phenethyl-amino]-2-oxo-ethyl]ammonium CAS Name: (2-fluorophenyl)methyl-[2-[(5-methyl-2-furanyl)methyl-phenethylamino]-2-oxoethyl]-prop-2-enylammonium IUPAC Name: (2-fluorophenyl)methyl-[2-[(5-methylfuran-2-yl)methyl-phenethylamino]-2-oxoethyl]-prop-2-enylazanium Traditional Name: allyl-(2-fluorobenzyl)-[2-keto-2-[(5-methyl-2-furyl)methyl-phenethyl-amino]ethyl]ammonium Formula: C26H30FN2O2+ MolecularWeight: 421.527003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)CN(CCC2=CC=CC=C2)C(=O)C[NH+](CC=C)CC3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(O1)CN(CCC2=CC=CC=C2)C(=O)C[NH+](CC=C)CC3=CC=CC=C3F

InChI

InChI=1S/C26H29FN2O2/c1-3-16-28(18-23-11-7-8-12-25(23)27)20-26(30)29(19-24-14-13-21(2)31-24)17-15-22-9-5-4-6-10-22/h3-14H,1,15-20H2,2H3/p+1