N-[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1-phenyl-methanesulfonamide

Systemtic Name: N-[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1-phenyl-methanesulfonamide Openeye Name: N-[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1-phenyl-methanesulfonamide CAS Name: N-[2-[1-[(1-ethyl-2-imidazolyl)methyl]-4-piperidin-1-iumyl]-3-pyrazolyl]-1-phenylmethanesulfonamide IUPAC Name: N-[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1-phenylmethanesulfonamide Traditional Name: N-[2-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-1-ium-4-yl]pyrazol-3-yl]-1-phenyl-methanesulfonamide Formula: C21H29N6O2S+ MolecularWeight: 429.55896

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CN=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NS(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

CCN1C=CN=C1C[NH+]2CCC(CC2)N3C(=CC=N3)NS(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H28N6O2S/c1-2-26-15-12-22-21(26)16-25-13-9-19(10-14-25)27-20(8-11-23-27)24-30(28,29)17-18-6-4-3-5-7-18/h3-8,11-12,15,19,24H,2,9-10,13-14,16-17H2,1H3/p+1