1-(phenylmethyl)-3-[12-[(phenylmethyl)amino]dodecyl]benzimidazol-1-ium-2-amine chloride

Systemtic Name: 1-(phenylmethyl)-3-[12-[(phenylmethyl)amino]dodecyl]benzimidazol-1-ium-2-amine chloride Openeye Name: 1-benzyl-3-[12-(benzylamino)dodecyl]benzimidazol-1-ium-2-amine chloride CAS Name: 1-(phenylmethyl)-3-[12-[(phenylmethyl)amino]dodecyl]-2-benzimidazol-1-iumamine chloride IUPAC Name: 1-benzyl-3-[12-(benzylamino)dodecyl]benzimidazol-1-ium-2-amine chloride Traditional Name: 12-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)dodecyl-benzyl-amine chloride Formula: C33H45ClN4 MolecularWeight: 533.1902

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNCCCCCCCCCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4.[Cl-]

Isomeric SMILES

C1=CC=C(C=C1)CNCCCCCCCCCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C33H44N4.ClH/c34-33-36(31-23-15-16-24-32(31)37(33)28-30-21-13-10-14-22-30)26-18-8-6-4-2-1-3-5-7-17-25-35-27-29-19-11-9-12-20-29;/h9-16,19-24,34-35H,1-8,17-18,25-28H2;1H