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

Systemtic Name: 1-[3-(diethylamino)propylamino]-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-[3-(diethylamino)propylamino]-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-[3-(diethylamino)propylamino]-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-[3-(diethylamino)propylamino]-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-[3-(diethylamino)propylamino]-1,3-dimethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C25H33N6O+ MolecularWeight: 433.56912

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCN[N+]1(C2=C(C=CC(=C2C3=CNN=C3)C4=CC=CC=C4)N(C1=O)C)C

Isomeric SMILES

CCN(CC)CCCN[N+]1(C2=C(C=CC(=C2C3=CNN=C3)C4=CC=CC=C4)N(C1=O)C)C

InChI

InChI=1S/C25H33N6O/c1-5-30(6-2)16-10-15-28-31(4)24-22(29(3)25(31)32)14-13-21(19-11-8-7-9-12-19)23(24)20-17-26-27-18-20/h7-9,11-14,17-18,28H,5-6,10,15-16H2,1-4H3,(H,26,27)/q+1