[(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(3-methylthiophen-2-yl)ethyl]azanium

Systemtic Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(3-methylthiophen-2-yl)ethyl]azanium Openeye Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(3-methyl-2-thienyl)ethyl]ammonium CAS Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(3-methyl-2-thiophenyl)ethyl]ammonium IUPAC Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(3-methylthiophen-2-yl)ethyl]azanium Traditional Name: [(2S)-2-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-(3-methyl-2-thienyl)ethyl]ammonium Formula: C13H25N3S+2 MolecularWeight: 255.4227

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=C1)C(C[NH3+])N2CCC[NH+](CC2)C

Isomeric SMILES

CC1=C(SC=C1)[C@H](C[NH3+])N2CCC[NH+](CC2)C

InChI

InChI=1S/C13H23N3S/c1-11-4-9-17-13(11)12(10-14)16-6-3-5-15(2)7-8-16/h4,9,12H,3,5-8,10,14H2,1-2H3/p+2/t12-/m0/s1