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

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-pyridin-2-amine CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-N-methyl-5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinamine IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-N-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-amine Traditional Name: (3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl-methyl-[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]amine Formula: C23H31N6O2S+ MolecularWeight: 455.59624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CN(C)C3=NC=C(C=C3)S(=O)(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C23H30N6O2S/c1-18-22(19(2)29(25-18)20-8-6-5-7-9-20)17-27(4)23-11-10-21(16-24-23)32(30,31)28-14-12-26(3)13-15-28/h5-11,16H,12-15,17H2,1-4H3/p+1