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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=NC3=C(C=C(C=C3)Cl)C(=O)N2C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H19ClN4O3/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/h4-9,12H,1-3,10-11,13H2/p+1