1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)ethanone Formula: C18H23N2O2S+ MolecularWeight: 331.45242

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CC3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CC3=CC=CS3

InChI

InChI=1S/C18H22N2O2S/c21-18(15-17-7-4-14-23-17)20-10-8-19(9-11-20)12-13-22-16-5-2-1-3-6-16/h1-7,14H,8-13,15H2/p+1