2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1-oxidanidyl-benzotriazol-1-ium

Systemtic Name: 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1-oxidanidyl-benzotriazol-1-ium Openeye Name: 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1-oxido-benzotriazol-1-ium CAS Name: 2-[4-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propoxy]phenyl]-1-oxidobenzotriazol-1-ium IUPAC Name: 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1-oxidobenzotriazol-1-ium Traditional Name: 2-[4-[3-[4-(2-methoxyphenyl)piperazino]propoxy]phenyl]-1-oxido-benzotriazol-1-ium Formula: C26H29N5O3 MolecularWeight: 459.54016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)N4N=C5C=CC=CC5=[N+]4[O-]

Isomeric SMILES

COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=C(C=C3)N4N=C5C=CC=CC5=[N+]4[O-]

InChI

InChI=1S/C26H29N5O3/c1-33-26-10-5-4-9-25(26)29-18-16-28(17-19-29)15-6-20-34-22-13-11-21(12-14-22)30-27-23-7-2-3-8-24(23)31(30)32/h2-5,7-14H,6,15-20H2,1H3