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

Systemtic Name: 2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-yl)carbothioyl-phenoxy]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[2-ethoxy-4-[(4-methyl-1-piperazin-4-iumyl)-sulfanylidenemethyl]phenoxy]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[2-ethoxy-4-(4-methylpiperazin-4-ium-1-carbothioyl)phenoxy]-1-pyrrolidino-ethanone Formula: C20H30N3O3S+ MolecularWeight: 392.5355

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C)OCC(=O)N3CCCC3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=S)N2CC[NH+](CC2)C)OCC(=O)N3CCCC3

InChI

InChI=1S/C20H29N3O3S/c1-3-25-18-14-16(20(27)23-12-10-21(2)11-13-23)6-7-17(18)26-15-19(24)22-8-4-5-9-22/h6-7,14H,3-5,8-13,15H2,1-2H3/p+1