N4-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-N1,N1-dimethyl-piperidine-1,4-dicarboxamide

Systemtic Name: N4-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-N1,N1-dimethyl-piperidine-1,4-dicarboxamide Openeye Name: N4-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-N1,N1-dimethyl-piperidine-1,4-dicarboxamide CAS Name: N4-[[2-(diethylamino)-3-pyridin-1-iumyl]methyl]-N1,N1-dimethylpiperidine-1,4-dicarboxamide IUPAC Name: 4-N-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide Traditional Name: N'-[[2-(diethylamino)pyridin-1-ium-3-yl]methyl]-N,N-dimethyl-piperidine-1,4-dicarboxamide Formula: C19H32N5O2+ MolecularWeight: 362.48968

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C2CCN(CC2)C(=O)N(C)C

Isomeric SMILES

CCN(CC)C1=C(C=CC=[NH+]1)CNC(=O)C2CCN(CC2)C(=O)N(C)C

InChI

InChI=1S/C19H31N5O2/c1-5-23(6-2)17-16(8-7-11-20-17)14-21-18(25)15-9-12-24(13-10-15)19(26)22(3)4/h7-8,11,15H,5-6,9-10,12-14H2,1-4H3,(H,21,25)/p+1