1-[8-chloranyl-1-(phenylmethyl)-3,4-dihydro-1H-naphthalen-2-ylidene]pyrrolidin-1-ium bromide

Systemtic Name: 1-[8-chloranyl-1-(phenylmethyl)-3,4-dihydro-1H-naphthalen-2-ylidene]pyrrolidin-1-ium bromide Openeye Name: 1-(1-benzyl-8-chloro-tetralin-2-ylidene)pyrrolidin-1-ium bromide CAS Name: 1-[8-chloro-1-(phenylmethyl)-3,4-dihydro-1H-naphthalen-2-ylidene]pyrrolidin-1-ium bromide IUPAC Name: 1-(1-benzyl-8-chloro-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidin-1-ium bromide Traditional Name: 1-(1-benzyl-8-chloro-tetralin-2-ylidene)pyrrolidin-1-ium bromide Formula: C21H23BrClN MolecularWeight: 404.77102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN.BrH/c22-19-10-6-9-17-11-12-20(23-13-4-5-14-23)18(21(17)19)15-16-7-2-1-3-8-16;/h1-3,6-10,18H,4-5,11-15H2;1H/q+1;/p-1