5-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]quinolin-8-olate

Systemtic Name: 5-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]quinolin-8-olate Openeye Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate CAS Name: 5-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-8-quinolinolate IUPAC Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Traditional Name: 5-[(4-benzylpiperazin-1-ium-1-yl)methyl]quinolin-8-olate Formula: C21H23N3O MolecularWeight: 333.42682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C3C=CC=NC3=C(C=C2)[O-])CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C3C=CC=NC3=C(C=C2)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c25-20-9-8-18(19-7-4-10-22-21(19)20)16-24-13-11-23(12-14-24)15-17-5-2-1-3-6-17/h1-10,25H,11-16H2