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

Systemtic Name: N,N-bis(2-chloroethyl)-4-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline iodide Openeye Name: N,N-bis(2-chloroethyl)-4-[2-(1-methylquinolin-1-ium-4-yl)vinyl]aniline iodide CAS Name: N,N-bis(2-chloroethyl)-4-[2-(1-methyl-4-quinolin-1-iumyl)ethenyl]aniline iodide IUPAC Name: N,N-bis(2-chloroethyl)-4-[2-(1-methylquinolin-1-ium-4-yl)ethenyl]aniline iodide Traditional Name: bis(2-chloroethyl)-[4-[2-(1-methylquinolin-1-ium-4-yl)vinyl]phenyl]amine iodide Formula: C22H23Cl2IN2 MolecularWeight: 513.24189

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC=C(C=C3)N(CCCl)CCCl.[I-]

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)C=CC3=CC=C(C=C3)N(CCCl)CCCl.[I-]

InChI

InChI=1S/C22H23Cl2N2.HI/c1-25-15-12-19(21-4-2-3-5-22(21)25)9-6-18-7-10-20(11-8-18)26(16-13-23)17-14-24;/h2-12,15H,13-14,16-17H2,1H3;1H/q+1;/p-1