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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ium-1-yl-ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-pyrrolidin-1-ium-1-yl-ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(1-pyrrolidin-1-iumyl)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-pyrrolidin-1-ium-1-ylethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-pyrrolidin-1-ium-1-yl-ethanone Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC[NH+](C1)CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H23N3OS/c22-17(13-20-9-3-4-10-20)21-11-7-14(8-12-21)18-19-15-5-1-2-6-16(15)23-18/h1-2,5-6,14H,3-4,7-13H2/p+1