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

Systemtic Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide Openeye Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-2-(methylamino)thiazole-5-carboxamide CAS Name: N-[(3S)-1-(cyclohexylmethyl)-3-piperidin-1-iumyl]-4-methyl-2-(methylamino)-5-thiazolecarboxamide IUPAC Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide Traditional Name: N-[(3S)-1-(cyclohexylmethyl)piperidin-1-ium-3-yl]-4-methyl-2-(methylamino)thiazole-5-carboxamide Formula: C18H31N4OS+ MolecularWeight: 351.52994

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H30N4OS/c1-13-16(24-18(19-2)20-13)17(23)21-15-9-6-10-22(12-15)11-14-7-4-3-5-8-14/h14-15H,3-12H2,1-2H3,(H,19,20)(H,21,23)/p+1/t15-/m0/s1