1,3-diethyl-1-[2-(ethylamino)ethyl]-5-(3-methylphenyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one

Systemtic Name: 1,3-diethyl-1-[2-(ethylamino)ethyl]-5-(3-methylphenyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Openeye Name: 1,3-diethyl-1-[2-(ethylamino)ethyl]-5-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one CAS Name: 1,3-diethyl-1-[2-(ethylamino)ethyl]-5-(3-methylphenyl)-4-(1H-pyrazol-4-yl)-2-benzimidazol-1-iumone IUPAC Name: 1,3-diethyl-1-[2-(ethylamino)ethyl]-5-(3-methylphenyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Traditional Name: 1,3-diethyl-1-[2-(ethylamino)ethyl]-5-(m-tolyl)-4-(1H-pyrazol-4-yl)benzimidazol-1-ium-2-one Formula: C25H32N5O+ MolecularWeight: 418.55448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N5O/c1-5-26-13-14-30(7-3)22-12-11-21(19-10-8-9-18(4)15-19)23(20-16-27-28-17-20)24(22)29(6-2)25(30)31/h8-12,15-17,26H,5-7,13-14H2,1-4H3,(H,27,28)/q+1