2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[2-methoxy-4-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[2-methoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-pyrrolidino-ethanone Formula: C19H28N3O3S+ MolecularWeight: 378.50892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O3S/c1-20-9-11-22(12-10-20)19(26)15-5-6-16(17(13-15)24-2)25-14-18(23)21-7-3-4-8-21/h5-6,13H,3-4,7-12,14H2,1-2H3/p+1