2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[4-[2-(8-chloranylnaphthalen-1-yl)sulfanylethanoyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[4-[2-[(8-chloro-1-naphthyl)sulfanyl]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[4-[2-[(8-chloro-1-naphthalenyl)thio]-1-oxoethyl]-1-piperazin-1-iumyl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[4-[2-(8-chloronaphthalen-1-yl)sulfanylacetyl]piperazin-1-ium-1-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[4-[2-[(8-chloro-1-naphthyl)thio]acetyl]piperazin-1-ium-1-yl]-1-pyrrolidino-ethanone Formula: C22H27ClN3O2S+ MolecularWeight: 432.98668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C(=O)C[NH+]2CCN(CC2)C(=O)CSC3=CC=CC4=C3C(=CC=C4)Cl

InChI

InChI=1S/C22H26ClN3O2S/c23-18-7-3-5-17-6-4-8-19(22(17)18)29-16-21(28)26-13-11-24(12-14-26)15-20(27)25-9-1-2-10-25/h3-8H,1-2,9-16H2/p+1