2-(6-methoxy-2-pyrrolidin-1-ium-1-ylidene-3,4-dihydro-1H-naphthalen-1-yl)ethanenitrile bromide

Systemtic Name: 2-(6-methoxy-2-pyrrolidin-1-ium-1-ylidene-3,4-dihydro-1H-naphthalen-1-yl)ethanenitrile bromide Openeye Name: 2-(6-methoxy-2-pyrrolidin-1-ium-1-ylidene-tetralin-1-yl)acetonitrile bromide CAS Name: 2-[6-methoxy-2-(1-pyrrolidin-1-iumylidene)-3,4-dihydro-1H-naphthalen-1-yl]acetonitrile bromide IUPAC Name: 2-(6-methoxy-2-pyrrolidin-1-ium-1-ylidene-3,4-dihydro-1H-naphthalen-1-yl)acetonitrile bromide Traditional Name: 2-(6-methoxy-2-pyrrolidin-1-ium-1-ylidene-tetralin-1-yl)acetonitrile bromide Formula: C17H21BrN2O MolecularWeight: 349.26544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(C(=[N+]3CCCC3)CC2)CC#N.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)C(C(=[N+]3CCCC3)CC2)CC#N.[Br-]

InChI

InChI=1S/C17H21N2O.BrH/c1-20-14-5-6-15-13(12-14)4-7-17(16(15)8-9-18)19-10-2-3-11-19;/h5-6,12,16H,2-4,7-8,10-11H2,1H3;1H/q+1;/p-1