N,N-bis(2-chloroethyl)-4-(dimethylamino)pyridin-1-ium-1-carboxamide chloride

Systemtic Name: N,N-bis(2-chloroethyl)-4-(dimethylamino)pyridin-1-ium-1-carboxamide chloride Openeye Name: N,N-bis(2-chloroethyl)-4-(dimethylamino)pyridin-1-ium-1-carboxamide chloride CAS Name: N,N-bis(2-chloroethyl)-4-(dimethylamino)-1-pyridin-1-iumcarboxamide chloride IUPAC Name: N,N-bis(2-chloroethyl)-4-(dimethylamino)pyridin-1-ium-1-carboxamide chloride Traditional Name: N,N-bis(2-chloroethyl)-4-(dimethylamino)pyridin-1-ium-1-carboxamide chloride Formula: C12H18Cl3N3O MolecularWeight: 326.64982

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=[N+](C=C1)C(=O)N(CCCl)CCCl.[Cl-]

Isomeric SMILES

CN(C)C1=CC=[N+](C=C1)C(=O)N(CCCl)CCCl.[Cl-]

InChI

InChI=1S/C12H18Cl2N3O.ClH/c1-15(2)11-3-7-16(8-4-11)12(18)17(9-5-13)10-6-14;/h3-4,7-8H,5-6,9-10H2,1-2H3;1H/q+1;/p-1