N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide

Systemtic Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide Openeye Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(4-methylthiazol-5-yl)propanamide CAS Name: N-[(3S)-1-cycloheptyl-3-piperidin-1-iumyl]-3-(4-methyl-5-thiazolyl)propanamide IUPAC Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide Traditional Name: N-[(3S)-1-cycloheptylpiperidin-1-ium-3-yl]-3-(4-methylthiazol-5-yl)propionamide Formula: C19H32N3OS+ MolecularWeight: 350.54188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=N1)CCC(=O)NC2CCC[NH+](C2)C3CCCCCC3

Isomeric SMILES

CC1=C(SC=N1)CCC(=O)N[C@H]2CCC[NH+](C2)C3CCCCCC3

InChI

InChI=1S/C19H31N3OS/c1-15-18(24-14-20-15)10-11-19(23)21-16-7-6-12-22(13-16)17-8-4-2-3-5-9-17/h14,16-17H,2-13H2,1H3,(H,21,23)/p+1/t16-/m0/s1