7-butyl-1-(2-oxidanylidene-1-propan-2-yl-4H-benzimidazol-1-ium-1-yl)-4H-benzimidazol-2-one

Systemtic Name: 7-butyl-1-(2-oxidanylidene-1-propan-2-yl-4H-benzimidazol-1-ium-1-yl)-4H-benzimidazol-2-one Openeye Name: 7-butyl-1-(1-isopropyl-2-oxo-4H-benzimidazol-1-ium-1-yl)-4H-benzimidazol-2-one CAS Name: 7-butyl-1-(2-oxo-1-propan-2-yl-4H-benzimidazol-1-ium-1-yl)-4H-benzimidazol-2-one IUPAC Name: 7-butyl-1-(2-oxo-1-propan-2-yl-4H-benzimidazol-1-ium-1-yl)-4H-benzimidazol-2-one Traditional Name: 7-butyl-1-(1-isopropyl-2-keto-4H-benzimidazol-1-ium-1-yl)-4H-benzimidazol-2-one Formula: C21H25N4O2+ MolecularWeight: 365.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C2C(=NC(=O)N2[N+]3(C4=CC=CCC4=NC3=O)C(C)C)CC=C1

Isomeric SMILES

CCCCC1=C2C(=NC(=O)N2[N+]3(C4=CC=CCC4=NC3=O)C(C)C)CC=C1

InChI

InChI=1S/C21H25N4O2/c1-4-5-9-15-10-8-12-17-19(15)24(20(26)22-17)25(14(2)3)18-13-7-6-11-16(18)23-21(25)27/h6-8,10,13-14H,4-5,9,11-12H2,1-3H3/q+1