4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole

Systemtic Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Openeye Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)thiazole CAS Name: 4-[4-(1-azepanylsulfonyl)phenyl]-2-(4-methyl-1-piperazin-4-iumyl)thiazole IUPAC Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)-1,3-thiazole Traditional Name: 4-[4-(azepan-1-ylsulfonyl)phenyl]-2-(4-methylpiperazin-4-ium-1-yl)thiazole Formula: C20H29N4O2S2+ MolecularWeight: 421.59986

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC(=CS2)C3=CC=C(C=C3)S(=O)(=O)N4CCCCCC4

InChI

InChI=1S/C20H28N4O2S2/c1-22-12-14-23(15-13-22)20-21-19(16-27-20)17-6-8-18(9-7-17)28(25,26)24-10-4-2-3-5-11-24/h6-9,16H,2-5,10-15H2,1H3/p+1