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

Systemtic Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Openeye Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide CAS Name: 6-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl-methylamino]-N,N-diethyl-3-pyridin-1-iumsulfonamide IUPAC Name: 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N,N-diethylpyridin-1-ium-3-sulfonamide Traditional Name: 6-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-amino]-N,N-diethyl-pyridin-1-ium-3-sulfonamide Formula: C22H30N5O2S+ MolecularWeight: 428.5709

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)N(C)CC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H29N5O2S/c1-6-26(7-2)30(28,29)20-13-14-22(23-15-20)25(5)16-21-17(3)24-27(18(21)4)19-11-9-8-10-12-19/h8-15H,6-7,16H2,1-5H3/p+1