2-naphthalen-2-yloxy-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-naphthalen-2-yloxy-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(2-naphthyloxy)-1-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethanone CAS Name: 2-(2-naphthalenyloxy)-1-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-naphthalen-2-yloxy-1-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(2-naphthoxy)-1-[4-(3-thenyl)piperazin-4-ium-1-yl]ethanone Formula: C21H23N2O2S+ MolecularWeight: 367.48452

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)COC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CSC=C2)C(=O)COC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C21H22N2O2S/c24-21(15-25-20-6-5-18-3-1-2-4-19(18)13-20)23-10-8-22(9-11-23)14-17-7-12-26-16-17/h1-7,12-13,16H,8-11,14-15H2/p+1