1-[4-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Openeye Name: 1-[4-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone CAS Name: 1-[4-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)-4-imidazolyl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone IUPAC Name: 1-[4-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[2-cyclopentylsulfonyl-3-(3-methoxypropyl)imidazol-4-yl]methyl]-1,4-diazepan-4-ium-1-yl]ethanone Formula: C20H35N4O4S+ MolecularWeight: 427.5813

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC[NH+](CC1)CC2=CN=C(N2CCCOC)S(=O)(=O)C3CCCC3

Isomeric SMILES

CC(=O)N1CCC[NH+](CC1)CC2=CN=C(N2CCCOC)S(=O)(=O)C3CCCC3

InChI

InChI=1S/C20H34N4O4S/c1-17(25)23-10-5-9-22(12-13-23)16-18-15-21-20(24(18)11-6-14-28-2)29(26,27)19-7-3-4-8-19/h15,19H,3-14,16H2,1-2H3/p+1