2-(4-chlorophenyl)ethyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl]azanium

Systemtic Name: 2-(4-chlorophenyl)ethyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl]azanium Openeye Name: 2-(4-chlorophenyl)ethyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methyl-quinolin-1-ium-3-yl]methyl]ammonium CAS Name: 2-(4-chlorophenyl)ethyl-[[2-(4-ethoxycarbonyl-1-piperazinyl)-6-methyl-3-quinolin-1-iumyl]methyl]ammonium IUPAC Name: 2-(4-chlorophenyl)ethyl-[[2-(4-ethoxycarbonylpiperazin-1-yl)-6-methylquinolin-1-ium-3-yl]methyl]azanium Traditional Name: [2-(4-carbethoxypiperazino)-6-methyl-quinolin-1-ium-3-yl]methyl-[2-(4-chlorophenyl)ethyl]ammonium Formula: C26H33ClN4O2+2 MolecularWeight: 469.01882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C)C[NH2+]CCC4=CC=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C2=C(C=C3C=C(C=CC3=[NH+]2)C)C[NH2+]CCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C26H31ClN4O2/c1-3-33-26(32)31-14-12-30(13-15-31)25-22(17-21-16-19(2)4-9-24(21)29-25)18-28-11-10-20-5-7-23(27)8-6-20/h4-9,16-17,28H,3,10-15,18H2,1-2H3/p+2