3-chloranyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrido[2,1-b]quinazolin-11-one

Systemtic Name: 3-chloranyl-6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-pyrido[2,1-b]quinazolin-11-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-3-chloro-pyrido[2,1-b]quinazolin-11-one CAS Name: 3-chloro-6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-11-pyrido[2,1-b]quinazolinone IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-3-chloropyrido[2,1-b]quinazolin-11-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-3-chloro-pyrido[2,1-b]quinazolin-11-one Formula: C24H22ClN4O2+ MolecularWeight: 433.91008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C=CC(=C5)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)C3=CC=CN4C3=NC5=C(C4=O)C=CC(=C5)Cl

InChI

InChI=1S/C24H21ClN4O2/c25-18-8-9-19-21(15-18)26-22-20(7-4-10-29(22)24(19)31)23(30)28-13-11-27(12-14-28)16-17-5-2-1-3-6-17/h1-10,15H,11-14,16H2/p+1