4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-quinazoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-yl-quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(2-thienyl)quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-thiophen-2-ylquinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-thiophen-2-ylquinazoline Traditional Name: 4-(4-piperonylpiperazin-4-ium-1-yl)-2-(2-thienyl)quinazoline Formula: C24H23N4O2S+ MolecularWeight: 431.53002

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=NC5=CC=CC=C54)C6=CC=CS6

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C4=NC(=NC5=CC=CC=C54)C6=CC=CS6

InChI

InChI=1S/C24H22N4O2S/c1-2-5-19-18(4-1)24(26-23(25-19)22-6-3-13-31-22)28-11-9-27(10-12-28)15-17-7-8-20-21(14-17)30-16-29-20/h1-8,13-14H,9-12,15-16H2/p+1