N-[(phenylmethylsulfanyl)-pyrrolidin-1-ium-1-ylidene-methyl]prop-2-en-1-amine bromide

Systemtic Name: N-[(phenylmethylsulfanyl)-pyrrolidin-1-ium-1-ylidene-methyl]prop-2-en-1-amine bromide Openeye Name: N-[benzylsulfanyl(pyrrolidin-1-ium-1-ylidene)methyl]prop-2-en-1-amine bromide CAS Name: N-[(phenylmethylthio)-(1-pyrrolidin-1-iumylidene)methyl]-2-propen-1-amine bromide IUPAC Name: N-[benzylsulfanyl(pyrrolidin-1-ium-1-ylidene)methyl]prop-2-en-1-amine bromide Traditional Name: allyl-[(benzylthio)-pyrrolidin-1-ium-1-ylidene-methyl]amine bromide Formula: C15H21BrN2S MolecularWeight: 341.30964

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=[N+]1CCCC1)SCC2=CC=CC=C2.[Br-]

Isomeric SMILES

C=CCNC(=[N+]1CCCC1)SCC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C15H20N2S.BrH/c1-2-10-16-15(17-11-6-7-12-17)18-13-14-8-4-3-5-9-14;/h2-5,8-9H,1,6-7,10-13H2;1H