[2-[4-(4-hexoxyphenyl)piperazin-1-yl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone

Systemtic Name: [2-[4-(4-hexoxyphenyl)piperazin-1-yl]-3-oxidanidyl-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [2-[4-(4-hexoxyphenyl)piperazin-1-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [2-[4-(4-hexoxyphenyl)-1-piperazinyl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenylmethanone IUPAC Name: [2-[4-(4-hexoxyphenyl)piperazin-1-yl]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [2-[4-(4-hexoxyphenyl)piperazino]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C29H35N5O3 MolecularWeight: 501.6199

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C29H35N5O3/c1-2-3-4-10-23-37-26-17-15-25(16-18-26)30-19-21-31(22-20-30)34-32(29(35)24-11-6-5-7-12-24)27-13-8-9-14-28(27)33(34)36/h5-9,11-18,33H,2-4,10,19-23H2,1H3