[(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium

Systemtic Name: [(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Openeye Name: [(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]-[(1S)-1-(4-methylsulfanylphenyl)ethyl]ammonium CAS Name: [(2S)-3-methyl-2-(1-pyrrolidinyl)butyl]-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium IUPAC Name: [(2S)-3-methyl-2-pyrrolidin-1-ylbutyl]-[(1S)-1-(4-methylsulfanylphenyl)ethyl]azanium Traditional Name: [(2S)-3-methyl-2-pyrrolidino-butyl]-[(1S)-1-[4-(methylthio)phenyl]ethyl]ammonium Formula: C18H31N2S+ MolecularWeight: 307.51714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[NH2+]C(C)C1=CC=C(C=C1)SC)N2CCCC2

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)SC)[NH2+]C[C@H](C(C)C)N2CCCC2

InChI

InChI=1S/C18H30N2S/c1-14(2)18(20-11-5-6-12-20)13-19-15(3)16-7-9-17(21-4)10-8-16/h7-10,14-15,18-19H,5-6,11-13H2,1-4H3/p+1/t15-,18+/m0/s1