6-chloranyl-3-(4-nitrophenyl)-2-(piperidin-1-ylmethyl)-4aH-quinazolin-3-ium-4-one

Systemtic Name: 6-chloranyl-3-(4-nitrophenyl)-2-(piperidin-1-ylmethyl)-4aH-quinazolin-3-ium-4-one Openeye Name: 6-chloro-3-(4-nitrophenyl)-2-(1-piperidylmethyl)-4aH-quinazolin-3-ium-4-one CAS Name: 6-chloro-3-(4-nitrophenyl)-2-(1-piperidinylmethyl)-4aH-quinazolin-3-ium-4-one IUPAC Name: 6-chloro-3-(4-nitrophenyl)-2-(piperidin-1-ylmethyl)-4aH-quinazolin-3-ium-4-one Traditional Name: 6-chloro-3-(4-nitrophenyl)-2-(piperidinomethyl)-4aH-quinazolin-3-ium-4-one Formula: C20H20ClN4O3+ MolecularWeight: 399.8508

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=[N+](C(=O)C3C=C(C=CC3=N2)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CC2=[N+](C(=O)C3C=C(C=CC3=N2)Cl)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20ClN4O3/c21-14-4-9-18-17(12-14)20(26)24(15-5-7-16(8-6-15)25(27)28)19(22-18)13-23-10-2-1-3-11-23/h4-9,12,17H,1-3,10-11,13H2/q+1