N-[1-[1-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]cyclododecanimine

Systemtic Name: N-[1-[1-(phenylmethyl)piperazin-1-ium-1-yl]propoxy]cyclododecanimine Openeye Name: N-[1-(1-benzylpiperazin-1-ium-1-yl)propoxy]cyclododecanimine CAS Name: N-[1-[1-(phenylmethyl)-1-piperazin-1-iumyl]propoxy]cyclododecanimine IUPAC Name: N-[1-(1-benzylpiperazin-1-ium-1-yl)propoxy]cyclododecanimine Traditional Name: 1-(1-benzylpiperazin-1-ium-1-yl)propoxy-cyclododecylidene-amine Formula: C26H44N3O+ MolecularWeight: 414.64706

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Descriptors Computed from Structure

Canonical SMILES:

CCC([N+]1(CCNCC1)CC2=CC=CC=C2)ON=C3CCCCCCCCCCC3

Isomeric SMILES

CCC([N+]1(CCNCC1)CC2=CC=CC=C2)ON=C3CCCCCCCCCCC3

InChI

InChI=1S/C26H44N3O/c1-2-26(29(21-19-27-20-22-29)23-24-15-11-10-12-16-24)30-28-25-17-13-8-6-4-3-5-7-9-14-18-25/h10-12,15-16,26-27H,2-9,13-14,17-23H2,1H3/q+1