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

Systemtic Name: 1-[3-(diethylamino)propylamino]-1,3-diethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1-[3-(diethylamino)propylamino]-1,3-diethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1-[3-(diethylamino)propylamino]-1,3-diethyl-6-phenyl-7-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1-[3-(diethylamino)propylamino]-1,3-diethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1-[3-(diethylamino)propylamino]-1,3-diethyl-6-phenyl-7-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C27H37N6O+ MolecularWeight: 461.62228

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N6O/c1-5-31(6-2)18-12-17-30-33(8-4)26-24(32(7-3)27(33)34)16-15-23(21-13-10-9-11-14-21)25(26)22-19-28-29-20-22/h9-11,13-16,19-20,30H,5-8,12,17-18H2,1-4H3,(H,28,29)/q+1