[4-[4-(4-hexoxyphenyl)piperazin-1-yl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone

Systemtic Name: [4-[4-(4-hexoxyphenyl)piperazin-1-yl]phenyl]-(3-oxidanidylbenzotriazol-3-ium-1-yl)methanone Openeye Name: [4-[4-(4-hexoxyphenyl)piperazin-1-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone CAS Name: [4-[4-(4-hexoxyphenyl)-1-piperazinyl]phenyl]-(3-oxido-1-benzotriazol-3-iumyl)methanone IUPAC Name: [4-[4-(4-hexoxyphenyl)piperazin-1-yl]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Traditional Name: [4-[4-(4-hexoxyphenyl)piperazino]phenyl]-(3-oxidobenzotriazol-3-ium-1-yl)methanone Formula: C29H33N5O3 MolecularWeight: 499.60402

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H33N5O3/c1-2-3-4-7-22-37-26-16-14-25(15-17-26)32-20-18-31(19-21-32)24-12-10-23(11-13-24)29(35)33-27-8-5-6-9-28(27)34(36)30-33/h5-6,8-17H,2-4,7,18-22H2,1H3