5-(phenylmethoxymethyl)-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-olate

Systemtic Name: 5-(phenylmethoxymethyl)-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-olate Openeye Name: 5-(benzyloxymethyl)-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-olate CAS Name: 5-(phenylmethoxymethyl)-7-(1-pyrrolidin-1-iumylmethyl)-8-quinolinolate IUPAC Name: 5-(phenylmethoxymethyl)-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-olate Traditional Name: 5-(benzoxymethyl)-7-(pyrrolidin-1-ium-1-ylmethyl)quinolin-8-olate Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=C(C3=C(C=CC=N3)C(=C2)COCC4=CC=CC=C4)[O-]

Isomeric SMILES

C1CC[NH+](C1)CC2=C(C3=C(C=CC=N3)C(=C2)COCC4=CC=CC=C4)[O-]

InChI

InChI=1S/C22H24N2O2/c25-22-18(14-24-11-4-5-12-24)13-19(20-9-6-10-23-21(20)22)16-26-15-17-7-2-1-3-8-17/h1-3,6-10,13,25H,4-5,11-12,14-16H2