1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-thiophen-2-yl-ethanone

Systemtic Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-thiophen-2-yl-ethanone Openeye Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]-1-piperidyl]-2-(2-thienyl)ethanone CAS Name: 1-[(3S)-3-[4-(4-methoxyphenyl)-1-piperazin-1-iumyl]-1-piperidinyl]-2-thiophen-2-ylethanone IUPAC Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidin-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[(3S)-3-[4-(4-methoxyphenyl)piperazin-1-ium-1-yl]piperidino]-2-(2-thienyl)ethanone Formula: C22H30N3O2S+ MolecularWeight: 400.5575

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CC[NH+](CC2)C3CCCN(C3)C(=O)CC4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)N2CC[NH+](CC2)[C@H]3CCCN(C3)C(=O)CC4=CC=CS4

InChI

InChI=1S/C22H29N3O2S/c1-27-20-8-6-18(7-9-20)23-11-13-24(14-12-23)19-4-2-10-25(17-19)22(26)16-21-5-3-15-28-21/h3,5-9,15,19H,2,4,10-14,16-17H2,1H3/p+1/t19-/m0/s1