[3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-chloranyl-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-chlorophenyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-chlorophenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-chloro-phenyl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C18H27ClN3O3S+ MolecularWeight: 400.94328

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCCC3

InChI

InChI=1S/C18H26ClN3O3S/c1-20-10-12-21(13-11-20)18(23)15-6-7-16(19)17(14-15)26(24,25)22-8-4-2-3-5-9-22/h6-7,14H,2-5,8-13H2,1H3/p+1