[5-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridin-2-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [5-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridin-2-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [5-[4-(4-hexoxyphenyl)piperazin-1-yl]-2-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [5-[4-(4-hexoxyphenyl)-1-piperazinyl]-2-pyridinyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [5-[4-(4-hexoxyphenyl)piperazin-1-yl]pyridin-2-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [5-[4-(4-hexoxyphenyl)piperazino]-2-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C28H32N6O3 MolecularWeight: 500.59208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CN=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=CN=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C28H32N6O3/c1-2-3-4-7-20-37-24-13-10-22(11-14-24)31-16-18-32(19-17-31)23-12-15-25(29-21-23)28(35)33-26-8-5-6-9-27(26)34(36)30-33/h5-6,8-15,21H,2-4,7,16-20H2,1H3