6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methylamino]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylamino]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylamino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C21H28N5O2S+ MolecularWeight: 414.54432

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C21H27N5O2S/c1-5-25(6-2)29(27,28)19-12-13-21(22-14-19)23-15-20-16(3)24-26(17(20)4)18-10-8-7-9-11-18/h7-14H,5-6,15H2,1-4H3,(H,22,23)/p+1