1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propan-1-one Openeye Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propan-1-one CAS Name: 1-[4-(4-methoxyphenyl)-1-piperazinyl]-3-[(2S)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]-1-propanone IUPAC Name: 1-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(2S)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]propan-1-one Traditional Name: 1-[4-(4-methoxyphenyl)piperazino]-3-[(2S)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]propan-1-one Formula: C22H30N3O2S+ MolecularWeight: 400.5575

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)CC[NH+]3CCC[C@H]3C4=CC=CS4

InChI

InChI=1S/C22H29N3O2S/c1-27-19-8-6-18(7-9-19)23-13-15-25(16-14-23)22(26)10-12-24-11-2-4-20(24)21-5-3-17-28-21/h3,5-9,17,20H,2,4,10-16H2,1H3/p+1/t20-/m0/s1