1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone

Systemtic Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone Openeye Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonyl-phenoxy)ethanone CAS Name: 1-(4-ethyl-1-piperazin-4-iumyl)-2-[2-methyl-4-(1-pyrrolidinylsulfonyl)phenoxy]ethanone IUPAC Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methyl-4-pyrrolidin-1-ylsulfonylphenoxy)ethanone Traditional Name: 1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-methyl-4-pyrrolidinosulfonyl-phenoxy)ethanone Formula: C19H30N3O4S+ MolecularWeight: 396.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)COC2=C(C=C(C=C2)S(=O)(=O)N3CCCC3)C

InChI

InChI=1S/C19H29N3O4S/c1-3-20-10-12-21(13-11-20)19(23)15-26-18-7-6-17(14-16(18)2)27(24,25)22-8-4-5-9-22/h6-7,14H,3-5,8-13,15H2,1-2H3/p+1