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

Systemtic Name: 2-(azepan-1-ium-1-yl)-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone Openeye Name: 2-(azepan-1-ium-1-yl)-1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]ethanone CAS Name: 2-(1-azepan-1-iumyl)-1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]ethanone IUPAC Name: 2-(azepan-1-ium-1-yl)-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone Traditional Name: 2-(azepan-1-ium-1-yl)-1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]ethanone Formula: C20H28N3OS+ MolecularWeight: 358.52082

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H27N3OS/c24-19(15-22-11-5-1-2-6-12-22)23-13-7-8-16(14-23)20-21-17-9-3-4-10-18(17)25-20/h3-4,9-10,16H,1-2,5-8,11-15H2/p+1/t16-/m0/s1