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

Systemtic Name: 1-(4-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Openeye Name: 1-(4-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide CAS Name: 1-(4-methoxyphenyl)-N-[2-(4-morpholin-4-iumyl)ethyl]-5-benzimidazolecarboxamide IUPAC Name: 1-(4-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Traditional Name: 1-(4-methoxyphenyl)-N-(2-morpholin-4-ium-4-ylethyl)benzimidazole-5-carboxamide Formula: C21H25N4O3+ MolecularWeight: 381.4482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCC[NH+]4CCOCC4

Isomeric SMILES

COC1=CC=C(C=C1)N2C=NC3=C2C=CC(=C3)C(=O)NCC[NH+]4CCOCC4

InChI

InChI=1S/C21H24N4O3/c1-27-18-5-3-17(4-6-18)25-15-23-19-14-16(2-7-20(19)25)21(26)22-8-9-24-10-12-28-13-11-24/h2-7,14-15H,8-13H2,1H3,(H,22,26)/p+1