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

Systemtic Name: 3-[methyl(phenyl)amino]propyl-[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl]azanium Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl]-[3-(N-methylanilino)propyl]ammonium CAS Name: 3-(N-methylanilino)propyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]ammonium IUPAC Name: 3-(N-methylanilino)propyl-[(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl]azanium Traditional Name: [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl]-[3-(N-methylanilino)propyl]ammonium Formula: C16H28N3O+ MolecularWeight: 278.41302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H27N3O/c1-13(2)18-16(20)14(3)17-11-8-12-19(4)15-9-6-5-7-10-15/h5-7,9-10,13-14,17H,8,11-12H2,1-4H3,(H,18,20)/p+1/t14-/m0/s1