(3S)-1-(1,3-benzothiazol-2-yl)-N-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine

Systemtic Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Openeye Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[1-(2-furylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine CAS Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[1-(2-furanylmethyl)-4-piperidin-1-iumyl]-3-piperidinamine IUPAC Name: (3S)-1-(1,3-benzothiazol-2-yl)-N-[1-(furan-2-ylmethyl)piperidin-1-ium-4-yl]piperidin-3-amine Traditional Name: [(3S)-1-(1,3-benzothiazol-2-yl)-3-piperidyl]-[1-(2-furfuryl)piperidin-1-ium-4-yl]amine Formula: C22H29N4OS+ MolecularWeight: 397.55686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C2=NC3=CC=CC=C3S2)NC4CC[NH+](CC4)CC5=CC=CO5

Isomeric SMILES

C1C[C@@H](CN(C1)C2=NC3=CC=CC=C3S2)NC4CC[NH+](CC4)CC5=CC=CO5

InChI

InChI=1S/C22H28N4OS/c1-2-8-21-20(7-1)24-22(28-21)26-11-3-5-18(15-26)23-17-9-12-25(13-10-17)16-19-6-4-14-27-19/h1-2,4,6-8,14,17-18,23H,3,5,9-13,15-16H2/p+1/t18-/m0/s1