[(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [(1R)-2-(cyclopropylamino)-2-oxidanylidene-1-phenyl-ethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(1R)-2-(cyclopropylamino)-2-oxo-1-phenyl-ethyl]-methyl-ammonium CAS Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(1R)-2-(cyclopropylamino)-2-oxo-1-phenylethyl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1R)-2-(cyclopropylamino)-2-keto-1-phenyl-ethyl]-methyl-ammonium Formula: C22H27N2O2+ MolecularWeight: 351.46198

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=C(C=C1)OCC=C)C(C2=CC=CC=C2)C(=O)NC3CC3

Isomeric SMILES

C[NH+](CC1=CC=C(C=C1)OCC=C)[C@H](C2=CC=CC=C2)C(=O)NC3CC3

InChI

InChI=1S/C22H26N2O2/c1-3-15-26-20-13-9-17(10-14-20)16-24(2)21(18-7-5-4-6-8-18)22(25)23-19-11-12-19/h3-10,13-14,19,21H,1,11-12,15-16H2,2H3,(H,23,25)/p+1/t21-/m1/s1