1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone

Systemtic Name: 1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone Openeye Name: 1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(2-thienylmethyl)piperazine-1,4-diium-1-yl]ethanone CAS Name: 1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(thiophen-2-ylmethyl)-1-piperazine-1,4-diiumyl]ethanone IUPAC Name: 1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(thiophen-2-ylmethyl)piperazine-1,4-diium-1-yl]ethanone Traditional Name: 1-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-2-[4-(2-thenyl)piperazine-1,4-diium-1-yl]ethanone Formula: C22H29N3OS+2 MolecularWeight: 383.55016

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC=C1C2=CC=CC=C2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

C1CN(CC=C1C2=CC=CC=C2)C(=O)C[NH+]3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C22H27N3OS/c26-22(25-10-8-20(9-11-25)19-5-2-1-3-6-19)18-24-14-12-23(13-15-24)17-21-7-4-16-27-21/h1-8,16H,9-15,17-18H2/p+2