ethanedioic acid; [2-[[hexyl(methyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate

Systemtic Name: ethanedioic acid; [2-[[hexyl(methyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate Openeye Name: [2-[[hexyl(methyl)amino]methyl]-3-pyridyl] N,N-dimethylcarbamate; oxalic acid CAS Name: N,N-dimethylcarbamic acid [2-[[hexyl(methyl)amino]methyl]-3-pyridinyl] ester; oxalic acid IUPAC Name: [2-[[hexyl(methyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate; oxalic acid Traditional Name: N,N-dimethylcarbamic acid [2-[[hexyl(methyl)amino]methyl]-3-pyridyl] ester; oxalic acid Formula: C18H29N3O6 MolecularWeight: 383.43936

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C.C(=O)(C(=O)O)O

Isomeric SMILES

CCCCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C.C(=O)(C(=O)O)O

InChI

InChI=1S/C16H27N3O2.C2H2O4/c1-5-6-7-8-12-19(4)13-14-15(10-9-11-17-14)21-16(20)18(2)3;3-1(4)2(5)6/h9-11H,5-8,12-13H2,1-4H3;(H,3,4)(H,5,6)