(4-piperidin-1-ylsulfonylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (4-piperidin-1-ylsulfonylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(1-piperidylsulfonyl)phenyl]-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1-piperidinylsulfonyl)phenyl]-[4-(2-pyridinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (4-piperidin-1-ylsulfonylphenyl)-[4-(pyridin-2-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (4-piperidinosulfonylphenyl)-[4-(2-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H29N4O3S+ MolecularWeight: 429.55566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H28N4O3S/c27-22(25-16-14-24(15-17-25)18-20-6-2-3-11-23-20)19-7-9-21(10-8-19)30(28,29)26-12-4-1-5-13-26/h2-3,6-11H,1,4-5,12-18H2/p+1