[(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium

Systemtic Name: [(2R)-1-[(4-aminocarbonylphenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Openeye Name: (4-allyloxyphenyl)methyl-[(1R)-2-(4-carbamoylanilino)-1-methyl-2-oxo-ethyl]-methyl-ammonium CAS Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]ammonium IUPAC Name: [(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl]-methyl-[(4-prop-2-enoxyphenyl)methyl]azanium Traditional Name: (4-allyloxybenzyl)-[(1R)-2-(4-carbamoylanilino)-2-keto-1-methyl-ethyl]-methyl-ammonium Formula: C21H26N3O3+ MolecularWeight: 368.44944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+](C)CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)C(=O)N)[NH+](C)CC2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H25N3O3/c1-4-13-27-19-11-5-16(6-12-19)14-24(3)15(2)21(26)23-18-9-7-17(8-10-18)20(22)25/h4-12,15H,1,13-14H2,2-3H3,(H2,22,25)(H,23,26)/p+1/t15-/m1/s1