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

Systemtic Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3-(4-oxidanylidenequinazolin-3-yl)propanamide Openeye Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]-3-(4-oxoquinazolin-3-yl)propanamide CAS Name: N-[(2R)-2-(4-methyl-1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-3-(4-oxo-3-quinazolinyl)propanamide IUPAC Name: N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-thiophen-2-ylethyl]-3-(4-oxoquinazolin-3-yl)propanamide Traditional Name: 3-(4-ketoquinazolin-3-yl)-N-[(2R)-2-(4-methylpiperidin-1-ium-1-yl)-2-(2-thienyl)ethyl]propionamide Formula: C23H29N4O2S+ MolecularWeight: 425.56696

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)C(CNC(=O)CCN2C=NC3=CC=CC=C3C2=O)C4=CC=CS4

Isomeric SMILES

CC1CC[NH+](CC1)[C@H](CNC(=O)CCN2C=NC3=CC=CC=C3C2=O)C4=CC=CS4

InChI

InChI=1S/C23H28N4O2S/c1-17-8-11-26(12-9-17)20(21-7-4-14-30-21)15-24-22(28)10-13-27-16-25-19-6-3-2-5-18(19)23(27)29/h2-7,14,16-17,20H,8-13,15H2,1H3,(H,24,28)/p+1/t20-/m1/s1