3-[3-oxidanylidene-3-(4-piperidin-1-ium-1-ylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione

Systemtic Name: 3-[3-oxidanylidene-3-(4-piperidin-1-ium-1-ylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione Openeye Name: 3-[3-oxo-3-(4-piperidin-1-ium-1-yl-1-piperidyl)propyl]-1H-quinazoline-2,4-dione CAS Name: 3-[3-oxo-3-[4-(1-piperidin-1-iumyl)-1-piperidinyl]propyl]-1H-quinazoline-2,4-dione IUPAC Name: 3-[3-oxo-3-(4-piperidin-1-ium-1-ylpiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione Traditional Name: 3-[3-keto-3-(4-piperidin-1-ium-1-ylpiperidino)propyl]-1H-quinazoline-2,4-quinone Formula: C21H29N4O3+ MolecularWeight: 385.47996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=O

Isomeric SMILES

C1CC[NH+](CC1)C2CCN(CC2)C(=O)CCN3C(=O)C4=CC=CC=C4NC3=O

InChI

InChI=1S/C21H28N4O3/c26-19(24-13-8-16(9-14-24)23-11-4-1-5-12-23)10-15-25-20(27)17-6-2-3-7-18(17)22-21(25)28/h2-3,6-7,16H,1,4-5,8-15H2,(H,22,28)/p+1