[2-(4-butoxyphenyl)pyrimidin-5-yl]-[4-(4-pentylpiperazin-4-ium-1-yl)phenyl]diazene

Systemtic Name: [2-(4-butoxyphenyl)pyrimidin-5-yl]-[4-(4-pentylpiperazin-4-ium-1-yl)phenyl]diazene Openeye Name: [2-(4-butoxyphenyl)pyrimidin-5-yl]-[4-(4-pentylpiperazin-4-ium-1-yl)phenyl]diazene CAS Name: [2-(4-butoxyphenyl)-5-pyrimidinyl]-[4-(4-pentyl-1-piperazin-4-iumyl)phenyl]diazene IUPAC Name: [2-(4-butoxyphenyl)pyrimidin-5-yl]-[4-(4-pentylpiperazin-4-ium-1-yl)phenyl]diazene Traditional Name: [4-(4-amylpiperazin-4-ium-1-yl)phenyl]-[2-(4-butoxyphenyl)pyrimidin-5-yl]diazene Formula: C29H39N6O+ MolecularWeight: 487.65956

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[NH+]1CCN(CC1)C2=CC=C(C=C2)N=NC3=CN=C(N=C3)C4=CC=C(C=C4)OCCCC

Isomeric SMILES

CCCCC[NH+]1CCN(CC1)C2=CC=C(C=C2)N=NC3=CN=C(N=C3)C4=CC=C(C=C4)OCCCC

InChI

InChI=1S/C29H38N6O/c1-3-5-7-16-34-17-19-35(20-18-34)27-12-10-25(11-13-27)32-33-26-22-30-29(31-23-26)24-8-14-28(15-9-24)36-21-6-4-2/h8-15,22-23H,3-7,16-21H2,1-2H3/p+1