[3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-[2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]propyl] methyl carbonate

Systemtic Name: [3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-[2-[(4-methoxy-3,5-dimethyl-pyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]propyl] methyl carbonate Openeye Name: [3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-[2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-yl]propyl] methyl carbonate CAS Name: carbonic acid [3-(4,4-dimethyl-1-piperazin-4-iumyl)-1-[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methylsulfinyl]-1-benzimidazolyl]propyl] methyl ester IUPAC Name: [3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-[2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfinyl]benzimidazol-1-yl]propyl] methyl carbonate Traditional Name: carbonic acid [3-(4,4-dimethylpiperazin-4-ium-1-yl)-1-[2-[(4-methoxy-3,5-dimethyl-2-pyridyl)methylsulfinyl]benzimidazol-1-yl]propyl] methyl ester Formula: C27H38N5O5S+ MolecularWeight: 544.68612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=CC=CC=C3N2C(CCN4CC[N+](CC4)(C)C)OC(=O)OC

Isomeric SMILES

CC1=CN=C(C(=C1OC)C)CS(=O)C2=NC3=CC=CC=C3N2C(CCN4CC[N+](CC4)(C)C)OC(=O)OC

InChI

InChI=1S/C27H38N5O5S/c1-19-17-28-22(20(2)25(19)35-5)18-38(34)26-29-21-9-7-8-10-23(21)31(26)24(37-27(33)36-6)11-12-30-13-15-32(3,4)16-14-30/h7-10,17,24H,11-16,18H2,1-6H3/q+1