3-(1,3-benzothiazol-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide

Systemtic Name: 3-(1,3-benzothiazol-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Openeye Name: 3-(1,3-benzothiazol-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide CAS Name: 3-(1,3-benzothiazol-2-yl)-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]propanamide IUPAC Name: 3-(1,3-benzothiazol-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propanamide Traditional Name: 3-(1,3-benzothiazol-2-yl)-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]propionamide Formula: C22H32N3OS+ MolecularWeight: 386.57398

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CCC2=NC3=CC=CC=C3S2)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CCC2=NC3=CC=CC=C3S2)[NH+]4CCCCC4

InChI

InChI=1S/C22H31N3OS/c26-20(11-12-21-24-18-9-3-4-10-19(18)27-21)23-17-22(13-5-1-6-14-22)25-15-7-2-8-16-25/h3-4,9-10H,1-2,5-8,11-17H2,(H,23,26)/p+1