2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide

Systemtic Name: 2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]ethanamide Openeye Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide CAS Name: 2-[(1-phenyl-5-tetrazolyl)thio]-N-[[1-(1-piperidin-1-iumyl)cyclohexyl]methyl]acetamide IUPAC Name: 2-(1-phenyltetrazol-5-yl)sulfanyl-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Traditional Name: 2-[(1-phenyltetrazol-5-yl)thio]-N-[(1-piperidin-1-ium-1-ylcyclohexyl)methyl]acetamide Formula: C21H31N6OS+ MolecularWeight: 415.57544

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(CNC(=O)CSC2=NN=NN2C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

C1CCC(CC1)(CNC(=O)CSC2=NN=NN2C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C21H30N6OS/c28-19(16-29-20-23-24-25-27(20)18-10-4-1-5-11-18)22-17-21(12-6-2-7-13-21)26-14-8-3-9-15-26/h1,4-5,10-11H,2-3,6-9,12-17H2,(H,22,28)/p+1