[6-[4-(4-octoxyphenyl)piperazin-1-yl]pyridin-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [6-[4-(4-octoxyphenyl)piperazin-1-yl]pyridin-3-yl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [6-[4-(4-octoxyphenyl)piperazin-1-yl]-3-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [6-[4-(4-octoxyphenyl)-1-piperazinyl]-3-pyridinyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [6-[4-(4-octoxyphenyl)piperazin-1-yl]pyridin-3-yl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [6-[4-(4-octoxyphenyl)piperazino]-3-pyridyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C30H36N6O3 MolecularWeight: 528.64524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)N2CCN(CC2)C3=NC=C(C=C3)C(=O)N4C5=CC=CC=C5[N+](=N4)[O-]

InChI

InChI=1S/C30H36N6O3/c1-2-3-4-5-6-9-22-39-26-15-13-25(14-16-26)33-18-20-34(21-19-33)29-17-12-24(23-31-29)30(37)35-27-10-7-8-11-28(27)36(38)32-35/h7-8,10-17,23H,2-6,9,18-22H2,1H3