N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitro-quinolin-2-amine trihydrochloride

Systemtic Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitro-quinolin-2-amine trihydrochloride Openeye Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitro-quinolin-2-amine trihydrochloride CAS Name: N-[2-[4-(2-methoxyphenyl)-1-piperazinyl]ethyl]-6-nitro-2-quinolinamine trihydrochloride IUPAC Name: N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]-6-nitroquinolin-2-amine trihydrochloride Traditional Name: 2-[4-(2-methoxyphenyl)piperazino]ethyl-(6-nitro-2-quinolyl)amine trihydrochloride Formula: C22H28Cl3N5O3 MolecularWeight: 516.84842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCNC3=NC4=C(C=C3)C=C(C=C4)[N+](=O)[O-].Cl.Cl.Cl

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCNC3=NC4=C(C=C3)C=C(C=C4)[N+](=O)[O-].Cl.Cl.Cl

InChI

InChI=1S/C22H25N5O3.3ClH/c1-30-21-5-3-2-4-20(21)26-14-12-25(13-15-26)11-10-23-22-9-6-17-16-18(27(28)29)7-8-19(17)24-22;;;/h2-9,16H,10-15H2,1H3,(H,23,24);3*1H