1-(12-phenylazanyldodecyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine

Systemtic Name: 1-(12-phenylazanyldodecyl)-3-(phenylmethyl)benzimidazol-3-ium-2-amine Openeye Name: 1-(12-anilinododecyl)-3-benzyl-benzimidazol-3-ium-2-amine CAS Name: 1-(12-anilinododecyl)-3-(phenylmethyl)-2-benzimidazol-3-iumamine IUPAC Name: 1-(12-anilinododecyl)-3-benzylbenzimidazol-3-ium-2-amine Traditional Name: 12-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)dodecyl-phenyl-amine Formula: C32H43N4+ MolecularWeight: 483.71062

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCCCCCNC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=C(N(C3=CC=CC=C32)CCCCCCCCCCCCNC4=CC=CC=C4)N

InChI

InChI=1S/C32H42N4/c33-32-35(30-23-15-16-24-31(30)36(32)27-28-19-11-9-12-20-28)26-18-8-6-4-2-1-3-5-7-17-25-34-29-21-13-10-14-22-29/h9-16,19-24,33-34H,1-8,17-18,25-27H2/p+1