2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-phenylazanyl-7,8-dihydro-6H-quinazolin-5-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-4-phenylazanyl-7,8-dihydro-6H-quinazolin-5-one Openeye Name: 4-anilino-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one CAS Name: 4-anilino-2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-7,8-dihydro-6H-quinazolin-5-one IUPAC Name: 4-anilino-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-7,8-dihydro-6H-quinazolin-5-one Traditional Name: 4-anilino-2-(4-piperonylpiperazin-4-ium-1-yl)-7,8-dihydro-6H-quinazolin-5-one Formula: C26H28N5O3+ MolecularWeight: 458.53222

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)C(=NC(=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6

Isomeric SMILES

C1CC2=C(C(=O)C1)C(=NC(=N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)NC6=CC=CC=C6

InChI

InChI=1S/C26H27N5O3/c32-21-8-4-7-20-24(21)25(27-19-5-2-1-3-6-19)29-26(28-20)31-13-11-30(12-14-31)16-18-9-10-22-23(15-18)34-17-33-22/h1-3,5-6,9-10,15H,4,7-8,11-14,16-17H2,(H,27,28,29)/p+1