1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone

Systemtic Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Openeye Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone CAS Name: 1-[4-(2-methoxyphenyl)-1-piperazinyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]ethanone IUPAC Name: 1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanone Traditional Name: 1-[4-(2-methoxyphenyl)piperazino]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]ethanone Formula: C21H28N3O2S+ MolecularWeight: 386.53092

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)C(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)C(=O)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C21H27N3O2S/c1-26-19-8-3-2-6-17(19)22-11-13-23(14-12-22)21(25)16-24-10-4-7-18(24)20-9-5-15-27-20/h2-3,5-6,8-9,15,18H,4,7,10-14,16H2,1H3/p+1/t18-/m1/s1