[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinazolin-2-yl]methyl-dimethyl-azanium

Systemtic Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinazolin-2-yl]methyl-dimethyl-azanium Openeye Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinazolin-2-yl]methyl-dimethyl-ammonium CAS Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-quinazolinyl]methyl-dimethylammonium IUPAC Name: [4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]quinazolin-2-yl]methyl-dimethylazanium Traditional Name: dimethyl-[[4-(4-piperonylpiperazin-4-ium-1-yl)quinazolin-2-yl]methyl]ammonium Formula: C23H29N5O2+2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C[NH+](C)CC1=NC2=CC=CC=C2C(=N1)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N5O2/c1-26(2)15-22-24-19-6-4-3-5-18(19)23(25-22)28-11-9-27(10-12-28)14-17-7-8-20-21(13-17)30-16-29-20/h3-8,13H,9-12,14-16H2,1-2H3/p+2