(1S)-1-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamine

Systemtic Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamine Openeye Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamine CAS Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-[2-(1-pyrrolidin-1-iumyl)ethyl]ethanamine IUPAC Name: (1S)-1-(1,3-benzothiazol-2-yl)-N-(2-pyrrolidin-1-ium-1-ylethyl)ethanamine Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-(2-pyrrolidin-1-ium-1-ylethyl)amine Formula: C15H22N3S+ MolecularWeight: 276.42028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)NCC[NH+]3CCCC3

Isomeric SMILES

C[C@@H](C1=NC2=CC=CC=C2S1)NCC[NH+]3CCCC3

InChI

InChI=1S/C15H21N3S/c1-12(16-8-11-18-9-4-5-10-18)15-17-13-6-2-3-7-14(13)19-15/h2-3,6-7,12,16H,4-5,8-11H2,1H3/p+1/t12-/m0/s1