1-[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]ethanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)-1-oxoethyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[2-(2,4-dioxo-1H-quinazolin-3-yl)acetyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[2-(2,4-diketo-1H-quinazolin-3-yl)acetyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C21H28N5O4+ MolecularWeight: 414.47812

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4NC3=O)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4NC3=O)C(=O)N

InChI

InChI=1S/C21H27N5O4/c22-19(29)21(25-10-4-1-5-11-25)8-12-24(13-9-21)17(27)14-26-18(28)15-6-2-3-7-16(15)23-20(26)30/h2-3,6-7H,1,4-5,8-14H2,(H2,22,29)(H,23,30)/p+1