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

Systemtic Name: 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]propanamide Openeye Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propanamide CAS Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]propanamide IUPAC Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]propanamide Traditional Name: 3-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propionamide Formula: C24H32N3O3S+ MolecularWeight: 442.59418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCN2C3=CC=CC=C3OC(C2=O)C)C4=CC=CS4

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3S/c1-17-9-12-26(13-10-17)20(22-8-5-15-31-22)16-25-23(28)11-14-27-19-6-3-4-7-21(19)30-18(2)24(27)29/h3-8,15,17-18,20H,9-14,16H2,1-2H3,(H,25,28)/p+1/t18-,20+/m0/s1