[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-cyclooctyl-azanium

Systemtic Name: [2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-cyclooctyl-ammonium Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CCC1)[NH2+]CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)N2CCC(CC2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H31N3OS/c26-21(16-23-18-8-4-2-1-3-5-9-18)25-14-12-17(13-15-25)22-24-19-10-6-7-11-20(19)27-22/h6-7,10-11,17-18,23H,1-5,8-9,12-16H2/p+1