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

Systemtic Name: N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-2-yl)methylideneamino]aniline chloride Openeye Name: N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-2-yl)methyleneamino]aniline chloride CAS Name: N,N-bis(2-chloroethyl)-4-[(1-methyl-2-quinolin-1-iumyl)methylideneamino]aniline chloride IUPAC Name: N,N-bis(2-chloroethyl)-4-[(1-methylquinolin-1-ium-2-yl)methylideneamino]aniline chloride Traditional Name: bis(2-chloroethyl)-[4-[(1-methylquinolin-1-ium-2-yl)methyleneamino]phenyl]amine chloride Formula: C21H22Cl3N3 MolecularWeight: 422.77848

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=NC3=CC=C(C=C3)N(CCCl)CCCl.[Cl-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)C=NC3=CC=C(C=C3)N(CCCl)CCCl.[Cl-]

InChI

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