7-[4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]heptan-1-amine

Systemtic Name: 7-[4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]heptan-1-amine Openeye Name: 7-[4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]heptan-1-amine CAS Name: 7-[4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-1-piperazin-1-iumyl]-1-heptanamine IUPAC Name: 7-[4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]piperazin-1-ium-1-yl]heptan-1-amine Traditional Name: 7-[4-(4-methoxyphenyl)-1-p-anisyl-piperazin-1-ium-1-yl]heptylamine Formula: C26H40N3O2+ MolecularWeight: 426.6147

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C[N+]2(CCN(CC2)C3=CC=C(C=C3)OC)CCCCCCCN

Isomeric SMILES

COC1=CC=C(C=C1)C[N+]2(CCN(CC2)C3=CC=C(C=C3)OC)CCCCCCCN

InChI

InChI=1S/C26H40N3O2/c1-30-25-12-8-23(9-13-25)22-29(19-7-5-3-4-6-16-27)20-17-28(18-21-29)24-10-14-26(31-2)15-11-24/h8-15H,3-7,16-22,27H2,1-2H3/q+1