1-[(5-chloranylthiophen-2-yl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium

Systemtic Name: 1-[(5-chloranylthiophen-2-yl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Openeye Name: 1-[(5-chloro-2-thienyl)methyl]-4-[5-(1-piperidylsulfonyl)pyridin-1-ium-2-yl]piperazin-1-ium CAS Name: 1-[(5-chloro-2-thiophenyl)methyl]-4-[5-(1-piperidinylsulfonyl)-2-pyridin-1-iumyl]piperazin-1-ium IUPAC Name: 1-[(5-chlorothiophen-2-yl)methyl]-4-(5-piperidin-1-ylsulfonylpyridin-1-ium-2-yl)piperazin-1-ium Traditional Name: 1-[(5-chloro-2-thienyl)methyl]-4-(5-piperidinosulfonylpyridin-1-ium-2-yl)piperazin-1-ium Formula: C19H27ClN4O2S2+2 MolecularWeight: 443.02628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C[NH+]=C(C=C2)N3CC[NH+](CC3)CC4=CC=C(S4)Cl

InChI

InChI=1S/C19H25ClN4O2S2/c20-18-6-4-16(27-18)15-22-10-12-23(13-11-22)19-7-5-17(14-21-19)28(25,26)24-8-2-1-3-9-24/h4-7,14H,1-3,8-13,15H2/p+2