1-(phenylmethyl)-3-[12-(4-phenylpiperazin-1-yl)dodecyl]benzimidazol-1-ium-2-amine

Systemtic Name: 1-(phenylmethyl)-3-[12-(4-phenylpiperazin-1-yl)dodecyl]benzimidazol-1-ium-2-amine Openeye Name: 1-benzyl-3-[12-(4-phenylpiperazin-1-yl)dodecyl]benzimidazol-1-ium-2-amine CAS Name: 1-(phenylmethyl)-3-[12-(4-phenyl-1-piperazinyl)dodecyl]-2-benzimidazol-1-iumamine IUPAC Name: 1-benzyl-3-[12-(4-phenylpiperazin-1-yl)dodecyl]benzimidazol-1-ium-2-amine Traditional Name: [1-benzyl-3-[12-(4-phenylpiperazino)dodecyl]benzimidazol-1-ium-2-yl]amine Formula: C36H50N5+ MolecularWeight: 552.8157

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCCCCCCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1CCCCCCCCCCCCN2C3=CC=CC=C3[N+](=C2N)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C36H49N5/c37-36-40(34-23-15-16-24-35(34)41(36)31-32-19-11-9-12-20-32)26-18-8-6-4-2-1-3-5-7-17-25-38-27-29-39(30-28-38)33-21-13-10-14-22-33/h9-16,19-24,37H,1-8,17-18,25-31H2/p+1