2-azanyl-6-[4-(2-azanylethyl)-3-[3-azanyl-3-(hydroxymethyloxy)propyl]-5-oxidanyl-pyridin-1-ium-1-yl]-5-oxidanyl-hexanoic acid

Systemtic Name: 2-azanyl-6-[4-(2-azanylethyl)-3-[3-azanyl-3-(hydroxymethyloxy)propyl]-5-oxidanyl-pyridin-1-ium-1-yl]-5-oxidanyl-hexanoic acid Openeye Name: 2-amino-6-[4-(2-aminoethyl)-3-[3-amino-3-(hydroxymethoxy)propyl]-5-hydroxy-pyridin-1-ium-1-yl]-5-hydroxy-hexanoic acid CAS Name: 2-amino-6-[4-(2-aminoethyl)-3-[3-amino-3-(hydroxymethoxy)propyl]-5-hydroxy-1-pyridin-1-iumyl]-5-hydroxyhexanoic acid IUPAC Name: 2-amino-6-[4-(2-aminoethyl)-3-[3-amino-3-(hydroxymethoxy)propyl]-5-hydroxypyridin-1-ium-1-yl]-5-hydroxyhexanoic acid Traditional Name: 2-amino-6-[4-(2-aminoethyl)-3-(3-amino-3-methyloloxy-propyl)-5-hydroxy-pyridin-1-ium-1-yl]-5-hydroxy-hexanoic acid Formula: C17H31N4O6+ MolecularWeight: 387.45124

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C=[N+]1CC(CCC(C(=O)O)N)O)O)CCN)CCC(N)OCO

Isomeric SMILES

C1=C(C(=C(C=[N+]1CC(CCC(C(=O)O)N)O)O)CCN)CCC(N)OCO

InChI

InChI=1S/C17H30N4O6/c18-6-5-13-11(1-4-16(20)27-10-22)7-21(9-15(13)24)8-12(23)2-3-14(19)17(25)26/h7,9,12,14,16,22-23H,1-6,8,10,18-20H2,(H-,24,25,26)/p+1