1-(12-morpholin-4-yldodecyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine chloride

Systemtic Name: 1-(12-morpholin-4-yldodecyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine chloride Openeye Name: 1-benzyl-3-(12-morpholinododecyl)benzimidazol-1-ium-2-amine chloride CAS Name: 1-[12-(4-morpholinyl)dodecyl]-3-(phenylmethyl)-2-benzimidazol-3-iumamine chloride IUPAC Name: 1-benzyl-3-(12-morpholin-4-yldodecyl)benzimidazol-1-ium-2-amine chloride Traditional Name: [1-benzyl-3-(12-morpholinododecyl)benzimidazol-1-ium-2-yl]amine chloride Formula: C30H45ClN4O MolecularWeight: 513.1575

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCCCCCCCCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1COCCN1CCCCCCCCCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C30H44N4O.ClH/c31-30-33(28-18-12-13-19-29(28)34(30)26-27-16-10-9-11-17-27)21-15-8-6-4-2-1-3-5-7-14-20-32-22-24-35-25-23-32;/h9-13,16-19,31H,1-8,14-15,20-26H2;1H