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

Systemtic Name: [4-(cyclopropylcarbamoyl)phenyl]methyl-methyl-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azanium Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-methyl-ammonium CAS Name: [4-[(cyclopropylamino)-oxomethyl]phenyl]methyl-methyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]ammonium IUPAC Name: [4-(cyclopropylcarbamoyl)phenyl]methyl-methyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]-[4-(cyclopropylcarbamoyl)benzyl]-methyl-ammonium Formula: C18H26N3O2+ MolecularWeight: 316.41794

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH+](C)CC1=CC=C(C=C1)C(=O)NC2CC2

Isomeric SMILES

C[C@@H](C(=O)NCC=C)[NH+](C)CC1=CC=C(C=C1)C(=O)NC2CC2

InChI

InChI=1S/C18H25N3O2/c1-4-11-19-17(22)13(2)21(3)12-14-5-7-15(8-6-14)18(23)20-16-9-10-16/h4-8,13,16H,1,9-12H2,2-3H3,(H,19,22)(H,20,23)/p+1/t13-/m0/s1