N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-1,3-thiazole-4-carboxamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-1,3-thiazole-4-carboxamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-thiazole-4-carboxamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-2-methyl-4-thiazolecarboxamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-1,3-thiazole-4-carboxamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-2-methyl-thiazole-4-carboxamide Formula: C17H28N3OS+ MolecularWeight: 322.48872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

CC1=NC(=CS1)C(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C17H27N3OS/c1-13-18-16(12-22-13)17(21)19-14-7-6-10-20(11-14)15-8-4-2-3-5-9-15/h12,14-15H,2-11H2,1H3,(H,19,21)/p+1/t14-/m0/s1