(4-aminocarbonylphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azanium

Systemtic Name: (4-aminocarbonylphenyl)methyl-methyl-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azanium Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]-[(4-carbamoylphenyl)methyl]-methyl-ammonium CAS Name: (4-carbamoylphenyl)methyl-methyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]ammonium IUPAC Name: (4-carbamoylphenyl)methyl-methyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]-(4-carbamoylbenzyl)-methyl-ammonium Formula: C15H22N3O2+ MolecularWeight: 276.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH+](C)CC1=CC=C(C=C1)C(=O)N

Isomeric SMILES

C[C@@H](C(=O)NCC=C)[NH+](C)CC1=CC=C(C=C1)C(=O)N

InChI

InChI=1S/C15H21N3O2/c1-4-9-17-15(20)11(2)18(3)10-12-5-7-13(8-6-12)14(16)19/h4-8,11H,1,9-10H2,2-3H3,(H2,16,19)(H,17,20)/p+1/t11-/m0/s1