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

Systemtic Name: 3-[methyl(phenyl)amino]propyl-[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl]azanium Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl]-[3-(N-methylanilino)propyl]ammonium CAS Name: 3-(N-methylanilino)propyl-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]ammonium IUPAC Name: 3-(N-methylanilino)propyl-[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl]azanium Traditional Name: [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl]-[3-(N-methylanilino)propyl]ammonium Formula: C17H30N3O+ MolecularWeight: 292.4396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29N3O/c1-14(2)13-19-17(21)15(3)18-11-8-12-20(4)16-9-6-5-7-10-16/h5-7,9-10,14-15,18H,8,11-13H2,1-4H3,(H,19,21)/p+1/t15-/m0/s1