2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]ethanamide

Systemtic Name: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]ethanamide Openeye Name: 2-(4-methylthiazol-2-yl)sulfanyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]acetamide CAS Name: 2-[(4-methyl-2-thiazolyl)thio]-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]acetamide IUPAC Name: 2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]acetamide Traditional Name: 2-[(4-methylthiazol-2-yl)thio]-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]acetamide Formula: C20H28N3OS2+ MolecularWeight: 390.58582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC(=O)NC2CCC[NH+](C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=CSC(=N1)SCC(=O)N[C@H]2CCC[NH+](C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H27N3OS2/c1-16-14-25-20(21-16)26-15-19(24)22-18-10-6-12-23(13-18)11-5-9-17-7-3-2-4-8-17/h2-4,7-8,14,18H,5-6,9-13,15H2,1H3,(H,22,24)/p+1/t18-/m0/s1