6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one

Systemtic Name: 6-[4-(phenylmethyl)piperazin-4-ium-1-yl]carbonyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one Openeye Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one CAS Name: 6-[oxo-[4-(phenylmethyl)-1-piperazin-4-iumyl]methyl]-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one IUPAC Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one Traditional Name: 6-(4-benzylpiperazin-4-ium-1-carbonyl)-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one Formula: C23H25N4O2+ MolecularWeight: 389.4702

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=NC3=C(C=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)C(=O)N2C1

Isomeric SMILES

C1CC2=NC3=C(C=CC(=C3)C(=O)N4CC[NH+](CC4)CC5=CC=CC=C5)C(=O)N2C1

InChI

InChI=1S/C23H24N4O2/c28-22(26-13-11-25(12-14-26)16-17-5-2-1-3-6-17)18-8-9-19-20(15-18)24-21-7-4-10-27(21)23(19)29/h1-3,5-6,8-9,15H,4,7,10-14,16H2/p+1