N,N-bis(2-chloroethyl)-1-methyl-pyridin-1-ium-4-amine iodide

Systemtic Name: N,N-bis(2-chloroethyl)-1-methyl-pyridin-1-ium-4-amine iodide Openeye Name: N,N-bis(2-chloroethyl)-1-methyl-pyridin-1-ium-4-amine iodide CAS Name: N,N-bis(2-chloroethyl)-1-methyl-4-pyridin-1-iumamine iodide IUPAC Name: N,N-bis(2-chloroethyl)-1-methylpyridin-1-ium-4-amine iodide Traditional Name: bis(2-chloroethyl)-(1-methylpyridin-1-ium-4-yl)amine iodide Formula: C10H15Cl2IN2 MolecularWeight: 361.04997

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)N(CCCl)CCCl.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)N(CCCl)CCCl.[I-]

InChI

InChI=1S/C10H15Cl2N2.HI/c1-13-6-2-10(3-7-13)14(8-4-11)9-5-12;/h2-3,6-7H,4-5,8-9H2,1H3;1H/q+1;/p-1