N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide

Systemtic Name: N-(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Openeye Name: N-(1,3-dimethyl-2-oxo-benzimidazol-5-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide CAS Name: N-(1,3-dimethyl-2-oxo-5-benzimidazolyl)-4-(4-morpholin-4-iumylmethyl)benzamide IUPAC Name: N-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Traditional Name: N-(2-keto-1,3-dimethyl-benzimidazol-5-yl)-4-(morpholin-4-ium-4-ylmethyl)benzamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4)N(C1=O)C

Isomeric SMILES

CN1C2=C(C=C(C=C2)NC(=O)C3=CC=C(C=C3)C[NH+]4CCOCC4)N(C1=O)C

InChI

InChI=1S/C21H24N4O3/c1-23-18-8-7-17(13-19(18)24(2)21(23)27)22-20(26)16-5-3-15(4-6-16)14-25-9-11-28-12-10-25/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)/p+1