2-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]acetamide Formula: C23H30N3O3S+ MolecularWeight: 428.5676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CN2C3=CC=CC=C3OC(C2=O)C)C4=CC=CS4

Isomeric SMILES

C[C@H]1C(=O)N(C2=CC=CC=C2O1)CC(=O)NC[C@H](C3=CC=CS3)[NH+]4CCC(CC4)C

InChI

InChI=1S/C23H29N3O3S/c1-16-9-11-25(12-10-16)19(21-8-5-13-30-21)14-24-22(27)15-26-18-6-3-4-7-20(18)29-17(2)23(26)28/h3-8,13,16-17,19H,9-12,14-15H2,1-2H3,(H,24,27)/p+1/t17-,19+/m0/s1