N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]-1-methyl-quinolin-1-ium-4-amine

Systemtic Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]-1-methyl-quinolin-1-ium-4-amine Openeye Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]-1-methyl-quinolin-1-ium-4-amine CAS Name: N-[4-[[4-[bis(2-chloroethyl)amino]phenyl]thio]phenyl]-1-methyl-4-quinolin-1-iumamine IUPAC Name: N-[4-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylphenyl]-1-methylquinolin-1-ium-4-amine Traditional Name: bis(2-chloroethyl)-[4-[[4-[(1-methylquinolin-1-ium-4-yl)amino]phenyl]thio]phenyl]amine Formula: C26H26Cl2N3S+ MolecularWeight: 483.47574

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C2=CC=CC=C21)NC3=CC=C(C=C3)SC4=CC=C(C=C4)N(CCCl)CCCl

Isomeric SMILES

C[N+]1=CC=C(C2=CC=CC=C21)NC3=CC=C(C=C3)SC4=CC=C(C=C4)N(CCCl)CCCl

InChI

InChI=1S/C26H25Cl2N3S/c1-30-17-14-25(24-4-2-3-5-26(24)30)29-20-6-10-22(11-7-20)32-23-12-8-21(9-13-23)31(18-15-27)19-16-28/h2-14,17H,15-16,18-19H2,1H3/p+1