1-[6-chloranyl-1-(phenylmethyl)-3,4-dihydro-1H-naphthalen-2-ylidene]pyrrolidin-1-ium bromide

Systemtic Name: 1-[6-chloranyl-1-(phenylmethyl)-3,4-dihydro-1H-naphthalen-2-ylidene]pyrrolidin-1-ium bromide Openeye Name: 1-(1-benzyl-6-chloro-tetralin-2-ylidene)pyrrolidin-1-ium bromide CAS Name: 1-[6-chloro-1-(phenylmethyl)-3,4-dihydro-1H-naphthalen-2-ylidene]pyrrolidin-1-ium bromide IUPAC Name: 1-(1-benzyl-6-chloro-3,4-dihydro-1H-naphthalen-2-ylidene)pyrrolidin-1-ium bromide Traditional Name: 1-(1-benzyl-6-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/c22-18-9-10-19-17(15-18)8-11-21(23-12-4-5-13-23)20(19)14-16-6-2-1-3-7-16;/h1-3,6-7,9-10,15,20H,4-5,8,11-14H2;1H/q+1;/p-1