N,N-bis(2-chloroethyl)-4-[(4-methylquinolin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonate

Systemtic Name: N,N-bis(2-chloroethyl)-4-[(4-methylquinolin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonate Openeye Name: N,N-bis(2-chloroethyl)-4-[(4-methylquinolin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonate CAS Name: N,N-bis(2-chloroethyl)-4-[(4-methyl-1-quinolin-1-iumyl)methyl]aniline; 4-methylbenzenesulfonate IUPAC Name: N,N-bis(2-chloroethyl)-4-[(4-methylquinolin-1-ium-1-yl)methyl]aniline; 4-methylbenzenesulfonate Traditional Name: bis(2-chloroethyl)-[4-[(4-methylquinolin-1-ium-1-yl)methyl]phenyl]amine tosylate Formula: C28H30Cl2N2O3S MolecularWeight: 545.5204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=[N+](C2=CC=CC=C12)CC3=CC=C(C=C3)N(CCCl)CCCl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=[N+](C2=CC=CC=C12)CC3=CC=C(C=C3)N(CCCl)CCCl

InChI

InChI=1S/C21H23Cl2N2.C7H8O3S/c1-17-10-13-25(21-5-3-2-4-20(17)21)16-18-6-8-19(9-7-18)24(14-11-22)15-12-23;1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13H,11-12,14-16H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1