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

Systemtic Name: 1-[4-[2,4-bis(oxidanylidene)-1H-quinazolin-3-yl]butanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide Openeye Name: 1-[4-(2,4-dioxo-1H-quinazolin-3-yl)butanoyl]-4-piperidin-1-ium-1-yl-piperidine-4-carboxamide CAS Name: 1-[4-(2,4-dioxo-1H-quinazolin-3-yl)-1-oxobutyl]-4-(1-piperidin-1-iumyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-(2,4-dioxo-1H-quinazolin-3-yl)butanoyl]-4-piperidin-1-ium-1-ylpiperidine-4-carboxamide Traditional Name: 1-[4-(2,4-diketo-1H-quinazolin-3-yl)butanoyl]-4-piperidin-1-ium-1-yl-isonipecotamide Formula: C23H32N5O4+ MolecularWeight: 442.53128

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=O)C(=O)N

Isomeric SMILES

C1CC[NH+](CC1)C2(CCN(CC2)C(=O)CCCN3C(=O)C4=CC=CC=C4NC3=O)C(=O)N

InChI

InChI=1S/C23H31N5O4/c24-21(31)23(27-12-4-1-5-13-27)10-15-26(16-11-23)19(29)9-6-14-28-20(30)17-7-2-3-8-18(17)25-22(28)32/h2-3,7-8H,1,4-6,9-16H2,(H2,24,31)(H,25,32)/p+1