3-[methyl(phenyl)amino]propyl-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azanium

Systemtic Name: 3-[methyl(phenyl)amino]propyl-[(2S)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl]azanium Openeye Name: [(1S)-2-(allylamino)-1-methyl-2-oxo-ethyl]-[3-(N-methylanilino)propyl]ammonium CAS Name: 3-(N-methylanilino)propyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]ammonium IUPAC Name: 3-(N-methylanilino)propyl-[(2S)-1-oxo-1-(prop-2-enylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(allylamino)-2-keto-1-methyl-ethyl]-[3-(N-methylanilino)propyl]ammonium Formula: C16H26N3O+ MolecularWeight: 276.39714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)[NH2+]CCCN(C)C1=CC=CC=C1

Isomeric SMILES

C[C@@H](C(=O)NCC=C)[NH2+]CCCN(C)C1=CC=CC=C1

InChI

InChI=1S/C16H25N3O/c1-4-11-18-16(20)14(2)17-12-8-13-19(3)15-9-6-5-7-10-15/h4-7,9-10,14,17H,1,8,11-13H2,2-3H3,(H,18,20)/p+1/t14-/m0/s1