3-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]propyl-dimethyl-azanium

Systemtic Name: 3-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]propyl-dimethyl-azanium Openeye Name: 3-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[(2S)-2-ammonio-3-(1H-indol-3-yl)-1-oxopropyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[(2S)-2-azaniumyl-3-(1H-indol-3-yl)propanoyl]amino]propyl-dimethylazanium Traditional Name: 3-[[(2S)-2-ammonio-3-(1H-indol-3-yl)propanoyl]amino]propyl-dimethyl-ammonium Formula: C16H26N4O+2 MolecularWeight: 290.40384

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=O)C(CC1=CNC2=CC=CC=C21)[NH3+]

Isomeric SMILES

C[NH+](C)CCCNC(=O)[C@H](CC1=CNC2=CC=CC=C21)[NH3+]

InChI

InChI=1S/C16H24N4O/c1-20(2)9-5-8-18-16(21)14(17)10-12-11-19-15-7-4-3-6-13(12)15/h3-4,6-7,11,14,19H,5,8-10,17H2,1-2H3,(H,18,21)/p+2/t14-/m0/s1