5-(pyridin-3-ylmethyl)-6-pyrrolidin-1-ium-1-ylidene-7,8-dihydro-5H-naphthalen-2-ol bromide

Systemtic Name: 5-(pyridin-3-ylmethyl)-6-pyrrolidin-1-ium-1-ylidene-7,8-dihydro-5H-naphthalen-2-ol bromide Openeye Name: 1-(3-pyridylmethyl)-2-pyrrolidin-1-ium-1-ylidene-tetralin-6-ol bromide CAS Name: 5-(3-pyridinylmethyl)-6-(1-pyrrolidin-1-iumylidene)-7,8-dihydro-5H-naphthalen-2-ol bromide IUPAC Name: 5-(pyridin-3-ylmethyl)-6-pyrrolidin-1-ium-1-ylidene-7,8-dihydro-5H-naphthalen-2-ol bromide Traditional Name: 1-(3-pyridylmethyl)-2-pyrrolidin-1-ium-1-ylidene-tetralin-6-ol bromide Formula: C20H23BrN2O MolecularWeight: 387.31342

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+](=C2CCC3=C(C2CC4=CN=CC=C4)C=CC(=C3)O)C1.[Br-]

Isomeric SMILES

C1CC[N+](=C2CCC3=C(C2CC4=CN=CC=C4)C=CC(=C3)O)C1.[Br-]

InChI

InChI=1S/C20H22N2O.BrH/c23-17-6-7-18-16(13-17)5-8-20(22-10-1-2-11-22)19(18)12-15-4-3-9-21-14-15;/h3-4,6-7,9,13-14,19H,1-2,5,8,10-12H2;1H