N-[prop-2-enylsulfanyl(pyrrolidin-1-ium-1-ylidene)methyl]aniline bromide

Systemtic Name: N-[prop-2-enylsulfanyl(pyrrolidin-1-ium-1-ylidene)methyl]aniline bromide Openeye Name: N-[allylsulfanyl(pyrrolidin-1-ium-1-ylidene)methyl]aniline bromide CAS Name: N-[(prop-2-enylthio)-(1-pyrrolidin-1-iumylidene)methyl]aniline bromide IUPAC Name: N-[prop-2-enylsulfanyl(pyrrolidin-1-ium-1-ylidene)methyl]aniline bromide Traditional Name: [(allylthio)-pyrrolidin-1-ium-1-ylidene-methyl]-phenyl-amine bromide Formula: C14H19BrN2S MolecularWeight: 327.28306

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC(=[N+]1CCCC1)NC2=CC=CC=C2.[Br-]

Isomeric SMILES

C=CCSC(=[N+]1CCCC1)NC2=CC=CC=C2.[Br-]

InChI

InChI=1S/C14H18N2S.BrH/c1-2-12-17-14(16-10-6-7-11-16)15-13-8-4-3-5-9-13;/h2-5,8-9H,1,6-7,10-12H2;1H