[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(1-azepanylsulfonyl)-4-methylphenyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(azepan-1-ylsulfonyl)-4-methylphenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C20H32N3O3S+ MolecularWeight: 394.55138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S/c1-3-21-12-14-22(15-13-21)20(24)18-9-8-17(2)19(16-18)27(25,26)23-10-6-4-5-7-11-23/h8-9,16H,3-7,10-15H2,1-2H3/p+1