methyl-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: methyl-[(2S)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-methyl-[(1S)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl]ammonium CAS Name: methyl-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: methyl-[(2S)-1-(3-methylanilino)-1-oxopropan-2-yl]-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1S)-2-keto-1-methyl-2-(m-toluidino)ethyl]-methyl-ammonium Formula: C21H27N2O2+ MolecularWeight: 339.45128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)[NH+](C)CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@H](C)[NH+](C)CC2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H26N2O2/c1-5-13-25-20-11-9-18(10-12-20)15-23(4)17(3)21(24)22-19-8-6-7-16(2)14-19/h5-12,14,17H,1,13,15H2,2-4H3,(H,22,24)/p+1/t17-/m0/s1