N-(2-morpholin-4-ium-4-ylethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide Openeye Name: 1-(4-benzyloxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-1-(4-phenylmethoxyphenyl)-5-benzimidazolecarboxamide IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxamide Traditional Name: 1-(4-benzoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Formula: C27H29N4O3+ MolecularWeight: 457.54416

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)N(C=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5

Isomeric SMILES

C1COCC[NH+]1CCNC(=O)C2=CC3=C(C=C2)N(C=N3)C4=CC=C(C=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C27H28N4O3/c32-27(28-12-13-30-14-16-33-17-15-30)22-6-11-26-25(18-22)29-20-31(26)23-7-9-24(10-8-23)34-19-21-4-2-1-3-5-21/h1-11,18,20H,12-17,19H2,(H,28,32)/p+1