(7-acetyloxy-5-aminocarbonyl-octan-3-yl) 2-pyridin-1-ium-1-ylethanoate

Systemtic Name: (7-acetyloxy-5-aminocarbonyl-octan-3-yl) 2-pyridin-1-ium-1-ylethanoate Openeye Name: (5-acetoxy-3-carbamoyl-1-ethyl-hexyl) 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid (7-acetyloxy-5-carbamoyloctan-3-yl) ester IUPAC Name: (7-acetyloxy-5-carbamoyloctan-3-yl) 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid (5-acetoxy-3-carbamoyl-1-ethyl-hexyl) ester Formula: C18H27N2O5+ MolecularWeight: 351.41738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H26N2O5/c1-4-16(25-17(22)12-20-8-6-5-7-9-20)11-15(18(19)23)10-13(2)24-14(3)21/h5-9,13,15-16H,4,10-12H2,1-3H3,(H-,19,23)/p+1