(2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone

Systemtic Name: (2-chloranyl-5-piperidin-1-ylsulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Openeye Name: [2-chloro-5-(1-piperidylsulfonyl)phenyl]-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone CAS Name: [2-chloro-5-(1-piperidinylsulfonyl)phenyl]-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: (2-chloro-5-piperidin-1-ylsulfonylphenyl)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)methanone Traditional Name: (2-chloro-5-piperidinosulfonyl-phenyl)-(4-pyridin-1-ium-2-ylpiperazino)methanone Formula: C21H26ClN4O3S+ MolecularWeight: 449.97414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)C(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C21H25ClN4O3S/c22-19-8-7-17(30(28,29)26-10-4-1-5-11-26)16-18(19)21(27)25-14-12-24(13-15-25)20-6-2-3-9-23-20/h2-3,6-9,16H,1,4-5,10-15H2/p+1