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

Systemtic Name: N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-4-yl)methylideneamino]aniline; methanesulfonate Openeye Name: N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-4-yl)methyleneamino]aniline; methanesulfonate CAS Name: N,N-bis(2-chloroethyl)-4-[(1-methyl-4-quinolin-1-iumyl)methylideneamino]aniline; methanesulfonate IUPAC Name: N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-4-yl)methylideneamino]aniline; methanesulfonate Traditional Name: bis(2-chloroethyl)-[4-[(1-methylquinolin-1-ium-4-yl)methyleneamino]phenyl]amine mesylate Formula: C22H25Cl2N3O3S MolecularWeight: 482.4232

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C=NC3=CC=C(C=C3)N(CCCl)CCCl.CS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)C=NC3=CC=C(C=C3)N(CCCl)CCCl.CS(=O)(=O)[O-]

InChI

InChI=1S/C21H22Cl2N3.CH4O3S/c1-25-13-10-17(20-4-2-3-5-21(20)25)16-24-18-6-8-19(9-7-18)26(14-11-22)15-12-23;1-5(2,3)4/h2-10,13,16H,11-12,14-15H2,1H3;1H3,(H,2,3,4)/q+1;/p-1