1-[3-(dimethylamino)propylamino]-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 1-[3-(dimethylamino)propylamino]-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-[3-(dimethylamino)propylamino]-1,3-diethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-[3-(dimethylamino)propylamino]-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-[3-(dimethylamino)propylamino]-1,3-diethyl-6-(3-methylphenyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-[3-(dimethylamino)propylamino]-1,3-diethyl-6-(m-tolyl)-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C26H35N6O+ MolecularWeight: 447.5957

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=C(C=C2)C3=CC(=CC=C3)C)C4=CNN=C4)[N+](C1=O)(CC)NCCCN(C)C

Isomeric SMILES

CCN1C2=C(C(=C(C=C2)C3=CC(=CC=C3)C)C4=CNN=C4)[N+](C1=O)(CC)NCCCN(C)C

InChI

InChI=1S/C26H35N6O/c1-6-31-23-13-12-22(20-11-8-10-19(3)16-20)24(21-17-27-28-18-21)25(23)32(7-2,26(31)33)29-14-9-15-30(4)5/h8,10-13,16-18,29H,6-7,9,14-15H2,1-5H3,(H,27,28)/q+1