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

Systemtic Name: [(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]-[(4-methylsulfanylphenyl)methyl]azanium Openeye Name: [(2S)-3-methyl-2-pyrrolidin-1-yl-butyl]-[(4-methylsulfanylphenyl)methyl]ammonium CAS Name: [(2S)-3-methyl-2-(1-pyrrolidinyl)butyl]-[[4-(methylthio)phenyl]methyl]ammonium IUPAC Name: [(2S)-3-methyl-2-pyrrolidin-1-ylbutyl]-[(4-methylsulfanylphenyl)methyl]azanium Traditional Name: [(2S)-3-methyl-2-pyrrolidino-butyl]-[4-(methylthio)benzyl]ammonium Formula: C17H29N2S+ MolecularWeight: 293.49056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C[NH2+]CC1=CC=C(C=C1)SC)N2CCCC2

Isomeric SMILES

CC(C)[C@@H](C[NH2+]CC1=CC=C(C=C1)SC)N2CCCC2

InChI

InChI=1S/C17H28N2S/c1-14(2)17(19-10-4-5-11-19)13-18-12-15-6-8-16(20-3)9-7-15/h6-9,14,17-18H,4-5,10-13H2,1-3H3/p+1/t17-/m1/s1