N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-1,2,3-thiadiazole-5-carboxamide

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-1,2,3-thiadiazole-5-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-thiadiazole-5-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-4-methyl-5-thiadiazolecarboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methylthiadiazole-5-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-thiadiazole-5-carboxamide Formula: C16H27N4OS+ MolecularWeight: 323.47678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SN=N1)C(=O)NC2CCC[NH+](C2)CC3CCCCC3

Isomeric SMILES

CC1=C(SN=N1)C(=O)N[C@H]2CCC[NH+](C2)CC3CCCCC3

InChI

InChI=1S/C16H26N4OS/c1-12-15(22-19-18-12)16(21)17-14-8-5-9-20(11-14)10-13-6-3-2-4-7-13/h13-14H,2-11H2,1H3,(H,17,21)/p+1/t14-/m0/s1