[3-[(2S)-3-(azepan-1-ium-1-yl)-2-methyl-propoxy]thiophen-2-yl]methylazanium

Systemtic Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-methyl-propoxy]thiophen-2-yl]methylazanium Openeye Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-methyl-propoxy]-2-thienyl]methylammonium CAS Name: [3-[(2S)-3-(1-azepan-1-iumyl)-2-methylpropoxy]-2-thiophenyl]methylammonium IUPAC Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-methylpropoxy]thiophen-2-yl]methylazanium Traditional Name: [3-[(2S)-3-(azepan-1-ium-1-yl)-2-methyl-propoxy]-2-thienyl]methylammonium Formula: C15H28N2OS+2 MolecularWeight: 284.46062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCCC1)COC2=C(SC=C2)C[NH3+]

Isomeric SMILES

C[C@@H](C[NH+]1CCCCCC1)COC2=C(SC=C2)C[NH3+]

InChI

InChI=1S/C15H26N2OS/c1-13(11-17-7-4-2-3-5-8-17)12-18-14-6-9-19-15(14)10-16/h6,9,13H,2-5,7-8,10-12,16H2,1H3/p+2/t13-/m0/s1