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

Systemtic Name: N-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (1-benzyl-3,5-dimethyl-pyrazol-4-yl)methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

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