(2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-(5-methylthiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide CAS Name: (2S)-N-(5-methyl-2-thiazolyl)-2-[4-(1-piperidin-1-iumyl)-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-(5-methyl-1,3-thiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-(5-methylthiazol-2-yl)-2-(4-piperidin-1-ium-1-ylpiperidin-1-ium-1-yl)propionamide Formula: C17H30N4OS+2 MolecularWeight: 338.5113

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(S1)NC(=O)C(C)[NH+]2CCC(CC2)[NH+]3CCCCC3

Isomeric SMILES

CC1=CN=C(S1)NC(=O)[C@H](C)[NH+]2CCC(CC2)[NH+]3CCCCC3

InChI

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