3-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]propyl-methyl-(phenylmethyl)azanium Openeye Name: 3-[[(2S,3S)-2-azaniumyl-3-methyl-pentanoyl]amino]propyl-benzyl-methyl-ammonium CAS Name: 3-[[(2S,3S)-2-ammonio-3-methyl-1-oxopentyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: 3-[[(2S,3S)-2-azaniumyl-3-methylpentanoyl]amino]propyl-benzyl-methylazanium Traditional Name: 3-[[(2S,3S)-2-ammonio-3-methyl-pentanoyl]amino]propyl-benzyl-methyl-ammonium Formula: C17H31N3O+2 MolecularWeight: 293.44754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC[NH+](C)CC1=CC=CC=C1)[NH3+]

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)NCCC[NH+](C)CC1=CC=CC=C1)[NH3+]

InChI

InChI=1S/C17H29N3O/c1-4-14(2)16(18)17(21)19-11-8-12-20(3)13-15-9-6-5-7-10-15/h5-7,9-10,14,16H,4,8,11-13,18H2,1-3H3,(H,19,21)/p+2/t14-,16-/m0/s1