2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone

Systemtic Name: 2-[1-(3-chloranyl-2-methyl-phenyl)imidazol-2-yl]sulfanyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Openeye Name: 2-[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]sulfanyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone CAS Name: 2-[[1-(3-chloro-2-methylphenyl)-2-imidazolyl]thio]-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone IUPAC Name: 2-[1-(3-chloro-2-methylphenyl)imidazol-2-yl]sulfanyl-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Traditional Name: 2-[[1-(3-chloro-2-methyl-phenyl)imidazol-2-yl]thio]-1-(4-methyl-1,4-diazepan-4-ium-1-yl)ethanone Formula: C18H24ClN4OS+ MolecularWeight: 379.92736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CCC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC(=O)N3CCC[NH+](CC3)C

InChI

InChI=1S/C18H23ClN4OS/c1-14-15(19)5-3-6-16(14)23-10-7-20-18(23)25-13-17(24)22-9-4-8-21(2)11-12-22/h3,5-7,10H,4,8-9,11-13H2,1-2H3/p+1