2-[(1R)-1-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[(1R)-1-[4-(2-chlorophenyl)carbonylpiperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1R)-1-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one CAS Name: 2-[(1R)-1-[4-[(2-chlorophenyl)-oxomethyl]-1-piperazin-1-iumyl]ethyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1R)-1-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Traditional Name: 2-[(1R)-1-[4-(2-chlorobenzoyl)piperazin-1-ium-1-yl]ethyl]-1H-quinazolin-4-one Formula: C21H22ClN4O2+ MolecularWeight: 397.87798

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4Cl

Isomeric SMILES

C[C@H](C1=NC(=O)C2=CC=CC=C2N1)[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4Cl

InChI

InChI=1S/C21H21ClN4O2/c1-14(19-23-18-9-5-3-7-16(18)20(27)24-19)25-10-12-26(13-11-25)21(28)15-6-2-4-8-17(15)22/h2-9,14H,10-13H2,1H3,(H,23,24,27)/p+1/t14-/m1/s1