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

Systemtic Name: [3-oxidanidyl-2-[4-(4-pentoxyphenyl)piperazin-1-yl]-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Openeye Name: [3-oxido-2-[4-(4-pentoxyphenyl)piperazin-1-yl]-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone CAS Name: [3-oxido-2-[4-(4-pentoxyphenyl)-1-piperazinyl]-3H-benzotriazol-3-ium-1-yl]-phenylmethanone IUPAC Name: [3-oxido-2-[4-(4-pentoxyphenyl)piperazin-1-yl]-3H-benzotriazol-3-ium-1-yl]-phenylmethanone Traditional Name: [2-[4-(4-amoxyphenyl)piperazino]-3-oxido-3H-benzotriazol-3-ium-1-yl]-phenyl-methanone Formula: C28H33N5O3 MolecularWeight: 487.59332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)N2CCN(CC2)N3[NH+](C4=CC=CC=C4N3C(=O)C5=CC=CC=C5)[O-]

InChI

InChI=1S/C28H33N5O3/c1-2-3-9-22-36-25-16-14-24(15-17-25)29-18-20-30(21-19-29)33-31(28(34)23-10-5-4-6-11-23)26-12-7-8-13-27(26)32(33)35/h4-8,10-17,32H,2-3,9,18-22H2,1H3