N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine

Systemtic Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine Openeye Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ium-1-yl-propan-1-amine CAS Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-(1-pyrrolidin-1-iumyl)-1-propanamine IUPAC Name: N-[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-3-pyrrolidin-1-ium-1-ylpropan-1-amine Traditional Name: [(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-(3-pyrrolidin-1-ium-1-ylpropyl)amine Formula: C16H24N3S+ MolecularWeight: 290.44686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3S/c1-13(17-9-6-12-19-10-4-5-11-19)16-18-14-7-2-3-8-15(14)20-16/h2-3,7-8,13,17H,4-6,9-12H2,1H3/p+1/t13-/m0/s1