[(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-yl-ethyl]azanium

Systemtic Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-yl-ethyl]azanium Openeye Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-thienyl)ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-ylethyl]ammonium IUPAC Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-thiophen-2-ylethyl]azanium Traditional Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(2-thienyl)ethyl]ammonium Formula: C12H23N3S+2 MolecularWeight: 241.39612

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCCN(CC1)C(C[NH3+])C2=CC=CS2

Isomeric SMILES

C[NH+]1CCCN(CC1)[C@@H](C[NH3+])C2=CC=CS2

InChI

InChI=1S/C12H21N3S/c1-14-5-3-6-15(8-7-14)11(10-13)12-4-2-9-16-12/h2,4,9,11H,3,5-8,10,13H2,1H3/p+2/t11-/m0/s1