1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-piperidin-1-ium-1-yl-ethanone Formula: C19H26N3OS+ MolecularWeight: 344.49424

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H25N3OS/c23-18(14-21-10-4-1-5-11-21)22-12-6-7-15(13-22)19-20-16-8-2-3-9-17(16)24-19/h2-3,8-9,15H,1,4-7,10-14H2/p+1/t15-/m0/s1