N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-3-methyl-benzamide

Systemtic Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-3-methyl-benzamide Openeye Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-3-methyl-benzamide CAS Name: N-[1-ethyl-2-(4-morpholin-4-iumylmethyl)-5-benzimidazolyl]-3-methylbenzamide IUPAC Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-3-methylbenzamide Traditional Name: N-[1-ethyl-2-(morpholin-4-ium-4-ylmethyl)benzimidazol-5-yl]-3-methyl-benzamide Formula: C22H27N4O2+ MolecularWeight: 379.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)C)N=C1C[NH+]4CCOCC4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)C3=CC(=CC=C3)C)N=C1C[NH+]4CCOCC4

InChI

InChI=1S/C22H26N4O2/c1-3-26-20-8-7-18(23-22(27)17-6-4-5-16(2)13-17)14-19(20)24-21(26)15-25-9-11-28-12-10-25/h4-8,13-14H,3,9-12,15H2,1-2H3,(H,23,27)/p+1