N,N-bis(2-chloroethyl)-4-(pyridin-1-ium-1-ylmethyl)aniline; 4-methylbenzenesulfonic acid

Systemtic Name: N,N-bis(2-chloroethyl)-4-(pyridin-1-ium-1-ylmethyl)aniline; 4-methylbenzenesulfonic acid Openeye Name: N,N-bis(2-chloroethyl)-4-(pyridin-1-ium-1-ylmethyl)aniline; 4-methylbenzenesulfonic acid CAS Name: N,N-bis(2-chloroethyl)-4-(1-pyridin-1-iumylmethyl)aniline; 4-methylbenzenesulfonic acid IUPAC Name: N,N-bis(2-chloroethyl)-4-(pyridin-1-ium-1-ylmethyl)aniline; 4-methylbenzenesulfonic acid Traditional Name: bis(2-chloroethyl)-[4-(pyridin-1-ium-1-ylmethyl)phenyl]amine; tosylic acid Formula: C23H27Cl2N2O3S+ MolecularWeight: 482.44308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19Cl2N2.C7H8O3S/c17-8-12-20(13-9-18)16-6-4-15(5-7-16)14-19-10-2-1-3-11-19;1-6-2-4-7(5-3-6)11(8,9)10/h1-7,10-11H,8-9,12-14H2;2-5H,1H3,(H,8,9,10)/q+1;