2-azanyl-6-[3-(1,4-dimethylpyridin-1-ium-3-yl)propanoylamino]hexanoic acid

Systemtic Name: 2-azanyl-6-[3-(1,4-dimethylpyridin-1-ium-3-yl)propanoylamino]hexanoic acid Openeye Name: 2-amino-6-[3-(1,4-dimethylpyridin-1-ium-3-yl)propanoylamino]hexanoic acid CAS Name: 2-amino-6-[[3-(1,4-dimethyl-3-pyridin-1-iumyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-amino-6-[3-(1,4-dimethylpyridin-1-ium-3-yl)propanoylamino]hexanoic acid Traditional Name: 2-amino-6-[3-(1,4-dimethylpyridin-1-ium-3-yl)propanoylamino]hexanoic acid Formula: C16H26N3O3+ MolecularWeight: 308.39594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=[N+](C=C1)C)CCC(=O)NCCCCC(C(=O)O)N

Isomeric SMILES

CC1=C(C=[N+](C=C1)C)CCC(=O)NCCCCC(C(=O)O)N

InChI

InChI=1S/C16H25N3O3/c1-12-8-10-19(2)11-13(12)6-7-15(20)18-9-4-3-5-14(17)16(21)22/h8,10-11,14H,3-7,9,17H2,1-2H3,(H-,18,20,21,22)/p+1