N-[6-[carboxy(methyl)amino]hexyl]-N-methyl-carbamate; 1-methyl-4H-pyridin-1-ium-3-one

Systemtic Name: N-[6-[carboxy(methyl)amino]hexyl]-N-methyl-carbamate; 1-methyl-4H-pyridin-1-ium-3-one Openeye Name: N-[6-[carboxy(methyl)amino]hexyl]-N-methyl-carbamate; 1-methyl-4H-pyridin-1-ium-3-one CAS Name: N-[6-[carboxy(methyl)amino]hexyl]-N-methylcarbamate; 1-methyl-4H-pyridin-1-ium-3-one IUPAC Name: N-[6-[carboxy(methyl)amino]hexyl]-N-methylcarbamate; 1-methyl-4H-pyridin-1-ium-3-one Traditional Name: N-[6-[carboxy(methyl)amino]hexyl]-N-methyl-carbamate; 1-methyl-4H-pyridin-1-ium-3-one Formula: C16H27N3O5 MolecularWeight: 341.40268

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=O)CC=C1.CN(CCCCCCN(C)C(=O)[O-])C(=O)O

Isomeric SMILES

C[N+]1=CC(=O)CC=C1.CN(CCCCCCN(C)C(=O)[O-])C(=O)O

InChI

InChI=1S/C10H20N2O4.C6H8NO/c1-11(9(13)14)7-5-3-4-6-8-12(2)10(15)16;1-7-4-2-3-6(8)5-7/h3-8H2,1-2H3,(H,13,14)(H,15,16);2,4-5H,3H2,1H3/q;+1/p-1