3-methyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide

Systemtic Name: 3-methyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide Openeye Name: 3-methyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]benzamide CAS Name: 3-methyl-N-[4-[[(3S)-3-methyl-1-piperidin-1-iumyl]methyl]-2-thiazolyl]benzamide IUPAC Name: 3-methyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]-1,3-thiazol-2-yl]benzamide Traditional Name: 3-methyl-N-[4-[[(3S)-3-methylpiperidin-1-ium-1-yl]methyl]thiazol-2-yl]benzamide Formula: C18H24N3OS+ MolecularWeight: 330.46766

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=CC=C3)C

InChI

InChI=1S/C18H23N3OS/c1-13-5-3-7-15(9-13)17(22)20-18-19-16(12-23-18)11-21-8-4-6-14(2)10-21/h3,5,7,9,12,14H,4,6,8,10-11H2,1-2H3,(H,19,20,22)/p+1/t14-/m0/s1