[(2S)-4-methyl-1-[3-[methyl(phenyl)amino]propylamino]-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-4-methyl-1-[3-[methyl(phenyl)amino]propylamino]-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-3-methyl-1-[3-(N-methylanilino)propylcarbamoyl]butyl]ammonium CAS Name: [(2S)-4-methyl-1-[3-(N-methylanilino)propylamino]-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-4-methyl-1-[3-(N-methylanilino)propylamino]-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-3-methyl-1-[3-(N-methylanilino)propylcarbamoyl]butyl]ammonium Formula: C16H28N3O+ MolecularWeight: 278.41302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCCCN(C)C1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCCCN(C)C1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C16H27N3O/c1-13(2)12-15(17)16(20)18-10-7-11-19(3)14-8-5-4-6-9-14/h4-6,8-9,13,15H,7,10-12,17H2,1-3H3,(H,18,20)/p+1/t15-/m0/s1