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

Systemtic Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide Openeye Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-[(4-methylthiazol-2-yl)methyl]piperidine-3-carboxamide CAS Name: (3S)-1-(1-methyl-4-piperidin-1-iumyl)-N-[(4-methyl-2-thiazolyl)methyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]piperidine-3-carboxamide Traditional Name: (3S)-1-(1-methylpiperidin-1-ium-4-yl)-N-[(4-methylthiazol-2-yl)methyl]nipecotamide Formula: C17H29N4OS+ MolecularWeight: 337.50336

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)CNC(=O)C2CCCN(C2)C3CC[NH+](CC3)C

Isomeric SMILES

CC1=CSC(=N1)CNC(=O)[C@H]2CCCN(C2)C3CC[NH+](CC3)C

InChI

InChI=1S/C17H28N4OS/c1-13-12-23-16(19-13)10-18-17(22)14-4-3-7-21(11-14)15-5-8-20(2)9-6-15/h12,14-15H,3-11H2,1-2H3,(H,18,22)/p+1/t14-/m0/s1