methyl-[(5-methylfuran-2-yl)methyl]-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: methyl-[(5-methylfuran-2-yl)methyl]-[(1S)-2-[(4-methylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenyl-ethyl]-[(5-methyl-2-furyl)methyl]ammonium CAS Name: methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(5-methyl-2-furanyl)methyl]ammonium IUPAC Name: methyl-[(1S)-2-(4-methylanilino)-2-oxo-1-phenylethyl]-[(5-methylfuran-2-yl)methyl]azanium Traditional Name: [(1S)-2-keto-1-phenyl-2-(p-toluidino)ethyl]-methyl-[(5-methyl-2-furyl)methyl]ammonium Formula: C22H25N2O2+ MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)[NH+](C)CC3=CC=C(O3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)[C@H](C2=CC=CC=C2)[NH+](C)CC3=CC=C(O3)C

InChI

InChI=1S/C22H24N2O2/c1-16-9-12-19(13-10-16)23-22(25)21(18-7-5-4-6-8-18)24(3)15-20-14-11-17(2)26-20/h4-14,21H,15H2,1-3H3,(H,23,25)/p+1/t21-/m0/s1