[1-[4-(4-octoxyphenyl)piperazin-1-yl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-pyridin-3-yl-methanone

Systemtic Name: [1-[4-(4-octoxyphenyl)piperazin-1-yl]-3-oxidanidyl-benzotriazol-3-ium-4-yl]-pyridin-3-yl-methanone Openeye Name: [1-[4-(4-octoxyphenyl)piperazin-1-yl]-3-oxido-benzotriazol-3-ium-4-yl]-(3-pyridyl)methanone CAS Name: [1-[4-(4-octoxyphenyl)-1-piperazinyl]-3-oxido-4-benzotriazol-3-iumyl]-(3-pyridinyl)methanone IUPAC Name: [1-[4-(4-octoxyphenyl)piperazin-1-yl]-3-oxidobenzotriazol-3-ium-4-yl]-pyridin-3-ylmethanone Traditional Name: [1-[4-(4-octoxyphenyl)piperazino]-3-oxido-benzotriazol-3-ium-4-yl]-(3-pyridyl)methanone Formula: C30H36N6O3 MolecularWeight: 528.64524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CN=CC=C5

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3C4=CC=CC(=C4[N+](=N3)[O-])C(=O)C5=CN=CC=C5

InChI

InChI=1S/C30H36N6O3/c1-2-3-4-5-6-7-22-39-26-15-13-25(14-16-26)33-18-20-34(21-19-33)35-28-12-8-11-27(29(28)36(38)32-35)30(37)24-10-9-17-31-23-24/h8-17,23H,2-7,18-22H2,1H3