[(2S)-2-(azepan-1-yl)-2-(3-methylthiophen-2-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(azepan-1-yl)-2-(3-methylthiophen-2-yl)ethyl]azanium Openeye Name: [(2S)-2-(azepan-1-yl)-2-(3-methyl-2-thienyl)ethyl]ammonium CAS Name: [(2S)-2-(1-azepanyl)-2-(3-methyl-2-thiophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(azepan-1-yl)-2-(3-methylthiophen-2-yl)ethyl]azanium Traditional Name: [(2S)-2-(azepan-1-yl)-2-(3-methyl-2-thienyl)ethyl]ammonium Formula: C13H23N2S+ MolecularWeight: 239.40012

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C[NH3+])N2CCCCCC2

Isomeric SMILES

CC1=C(SC=C1)[C@H](C[NH3+])N2CCCCCC2

InChI

InChI=1S/C13H22N2S/c1-11-6-9-16-13(11)12(10-14)15-7-4-2-3-5-8-15/h6,9,12H,2-5,7-8,10,14H2,1H3/p+1/t12-/m0/s1