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

Systemtic Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-cyclooctyl-azanium Openeye Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-cyclooctyl-ammonium CAS Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-cyclooctylammonium IUPAC Name: [2-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-cyclooctylazanium Traditional Name: [2-[(3S)-3-(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)N2CCCC(C2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCC(CCC1)[NH2+]CC(=O)N2CCC[C@@H](C2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H31N3OS/c26-21(15-23-18-10-4-2-1-3-5-11-18)25-14-8-9-17(16-25)22-24-19-12-6-7-13-20(19)27-22/h6-7,12-13,17-18,23H,1-5,8-11,14-16H2/p+1/t17-/m0/s1