1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-morpholin-4-ium-4-yl-ethanone

Systemtic Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-morpholin-4-ium-4-yl-ethanone Openeye Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-morpholin-4-ium-4-yl-ethanone CAS Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(4-morpholin-4-iumyl)ethanone IUPAC Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-morpholin-4-ium-4-ylethanone Traditional Name: 1-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-2-morpholin-4-ium-4-yl-ethanone Formula: C18H24N3O2S+ MolecularWeight: 346.46706

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)C[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)C[NH+]2CCOCC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H23N3O2S/c22-17(13-20-8-10-23-11-9-20)21-7-3-4-14(12-21)18-19-15-5-1-2-6-16(15)24-18/h1-2,5-6,14H,3-4,7-13H2/p+1/t14-/m0/s1