N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-piperidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-(1-piperidylsulfonyl)pyridin-1-ium-2-amine CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-5-(1-piperidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-piperidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-(5-piperidinosulfonylpyridin-1-ium-2-yl)amine Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C22H27N5O2S/c1-17-21(18(2)27(25-17)19-9-5-3-6-10-19)16-24-22-12-11-20(15-23-22)30(28,29)26-13-7-4-8-14-26/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,23,24)/p+1