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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonyl-pyridin-1-ium-2-amine CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-5-(1-pyrrolidinylsulfonyl)-2-pyridin-1-iumamine IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-1-ium-2-amine Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-(5-pyrrolidinosulfonylpyridin-1-ium-2-yl)amine Formula: C21H26N5O2S+ MolecularWeight: 412.52844

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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)N4CCCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC3=[NH+]C=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H25N5O2S/c1-16-20(17(2)26(24-16)18-8-4-3-5-9-18)15-23-21-11-10-19(14-22-21)29(27,28)25-12-6-7-13-25/h3-5,8-11,14H,6-7,12-13,15H2,1-2H3,(H,22,23)/p+1