2-[[6-[[(2S)-2-azaniumylpropanoyl]amino]pyridin-3-yl]amino]ethyl-dimethyl-azanium

Systemtic Name: 2-[[6-[[(2S)-2-azaniumylpropanoyl]amino]pyridin-3-yl]amino]ethyl-dimethyl-azanium Openeye Name: 2-[[6-[[(2S)-2-azaniumylpropanoyl]amino]-3-pyridyl]amino]ethyl-dimethyl-ammonium CAS Name: 2-[[6-[[(2S)-2-ammonio-1-oxopropyl]amino]-3-pyridinyl]amino]ethyl-dimethylammonium IUPAC Name: 2-[[6-[[(2S)-2-azaniumylpropanoyl]amino]pyridin-3-yl]amino]ethyl-dimethylazanium Traditional Name: 2-[[6-[[(2S)-2-ammoniopropanoyl]amino]-3-pyridyl]amino]ethyl-dimethyl-ammonium Formula: C12H23N5O+2 MolecularWeight: 253.34392

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=C(C=C1)NCC[NH+](C)C)[NH3+]

Isomeric SMILES

C[C@@H](C(=O)NC1=NC=C(C=C1)NCC[NH+](C)C)[NH3+]

InChI

InChI=1S/C12H21N5O/c1-9(13)12(18)16-11-5-4-10(8-15-11)14-6-7-17(2)3/h4-5,8-9,14H,6-7,13H2,1-3H3,(H,15,16,18)/p+2/t9-/m0/s1