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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCN2C(=O)COC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CCN2C(=O)COC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C23H29N3O3S/c1-17-8-11-25(12-9-17)19(21-7-4-14-30-21)15-24-22(27)10-13-26-18-5-2-3-6-20(18)29-16-23(26)28/h2-7,14,17,19H,8-13,15-16H2,1H3,(H,24,27)/p+1/t19-/m1/s1