[4-(benzotriazol-1-ylmethyl)phenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1-benzotriazolylmethyl)phenyl]-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: [4-(benzotriazol-1-ylmethyl)phenyl]-[4-(coumaran-5-ylmethyl)piperazin-4-ium-1-yl]methanone Formula: C27H28N5O2+ MolecularWeight: 454.54352

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)CN5C6=CC=CC=C6N=N5

Isomeric SMILES

C1COC2=C1C=C(C=C2)C[NH+]3CCN(CC3)C(=O)C4=CC=C(C=C4)CN5C6=CC=CC=C6N=N5

InChI

InChI=1S/C27H27N5O2/c33-27(22-8-5-20(6-9-22)19-32-25-4-2-1-3-24(25)28-29-32)31-14-12-30(13-15-31)18-21-7-10-26-23(17-21)11-16-34-26/h1-10,17H,11-16,18-19H2/p+1