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

Systemtic Name: 1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-[3-(dimethylamino)propylamino]-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C23H29N6O+ MolecularWeight: 405.51596

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=C(C=C2)C3=CC=CC=C3)C4=CNN=C4)[N+](C1=O)(C)NCCCN(C)C

Isomeric SMILES

CN1C2=C(C(=C(C=C2)C3=CC=CC=C3)C4=CNN=C4)[N+](C1=O)(C)NCCCN(C)C

InChI

InChI=1S/C23H29N6O/c1-27(2)14-8-13-26-29(4)22-20(28(3)23(29)30)12-11-19(17-9-6-5-7-10-17)21(22)18-15-24-25-16-18/h5-7,9-12,15-16,26H,8,13-14H2,1-4H3,(H,24,25)/q+1