(1S)-1-(1,3-benzothiazol-2-yl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ethanamine

Systemtic Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ethanamine Openeye Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ethanamine CAS Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]ethanamine IUPAC Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]ethanamine Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(C)C2=NC3=CC=CC=C3S2

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CN[C@@H](C)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C16H23N3S/c1-3-19-10-6-7-13(19)11-17-12(2)16-18-14-8-4-5-9-15(14)20-16/h4-5,8-9,12-13,17H,3,6-7,10-11H2,1-2H3/p+1/t12-,13+/m0/s1