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

Systemtic Name: N,N-bis(2-chloroethyl)-4-(diethylamino)pyridin-1-ium-1-carboxamide chloride Openeye Name: N,N-bis(2-chloroethyl)-4-(diethylamino)pyridin-1-ium-1-carboxamide chloride CAS Name: N,N-bis(2-chloroethyl)-4-(diethylamino)-1-pyridin-1-iumcarboxamide chloride IUPAC Name: N,N-bis(2-chloroethyl)-4-(diethylamino)pyridin-1-ium-1-carboxamide chloride Traditional Name: N,N-bis(2-chloroethyl)-4-(diethylamino)pyridin-1-ium-1-carboxamide chloride Formula: C14H22Cl3N3O MolecularWeight: 354.70298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22Cl2N3O.ClH/c1-3-17(4-2)13-5-9-18(10-6-13)14(20)19(11-7-15)12-8-16;/h5-6,9-10H,3-4,7-8,11-12H2,1-2H3;1H/q+1;/p-1