N,N-bis(2-chloroethyl)-4-[(3-methylpyridin-1-ium-1-yl)methyl]aniline

Systemtic Name: N,N-bis(2-chloroethyl)-4-[(3-methylpyridin-1-ium-1-yl)methyl]aniline Openeye Name: N,N-bis(2-chloroethyl)-4-[(3-methylpyridin-1-ium-1-yl)methyl]aniline CAS Name: N,N-bis(2-chloroethyl)-4-[(3-methyl-1-pyridin-1-iumyl)methyl]aniline IUPAC Name: N,N-bis(2-chloroethyl)-4-[(3-methylpyridin-1-ium-1-yl)methyl]aniline Traditional Name: bis(2-chloroethyl)-[4-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl]amine Formula: C17H21Cl2N2+ MolecularWeight: 324.26804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CC2=CC=C(C=C2)N(CCCl)CCCl

Isomeric SMILES

CC1=C[N+](=CC=C1)CC2=CC=C(C=C2)N(CCCl)CCCl

InChI

InChI=1S/C17H21Cl2N2/c1-15-3-2-10-20(13-15)14-16-4-6-17(7-5-16)21(11-8-18)12-9-19/h2-7,10,13H,8-9,11-12,14H2,1H3/q+1