7-chloranyl-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[4-(phenylmethyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-chloro-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[4-(phenylmethyl)-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[(4-benzylpiperazin-1-ium-1-yl)methyl]-7-chloro-1H-quinazolin-4-one Formula: C20H22ClN4O+ MolecularWeight: 369.86788

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C20H21ClN4O/c21-16-6-7-17-18(12-16)22-19(23-20(17)26)14-25-10-8-24(9-11-25)13-15-4-2-1-3-5-15/h1-7,12H,8-11,13-14H2,(H,22,23,26)/p+1