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

Systemtic Name: N,N-bis(2-chloroethyl)-4-[(3-methylpyridin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonic acid Openeye Name: N,N-bis(2-chloroethyl)-4-[(3-methylpyridin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonic acid CAS Name: N,N-bis(2-chloroethyl)-4-[(3-methyl-1-pyridin-1-iumyl)methyl]aniline; 4-methylbenzenesulfonic acid IUPAC Name: N,N-bis(2-chloroethyl)-4-[(3-methylpyridin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonic acid Traditional Name: bis(2-chloroethyl)-[4-[(3-methylpyridin-1-ium-1-yl)methyl]phenyl]amine; tosylic acid Formula: C24H29Cl2N2O3S+ MolecularWeight: 496.46966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21Cl2N2.C7H8O3S/c1-15-3-2-10-20(13-15)14-16-4-6-17(7-5-16)21(11-8-18)12-9-19;1-6-2-4-7(5-3-6)11(8,9)10/h2-7,10,13H,8-9,11-12,14H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;