4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-quinazoline

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-quinazoline Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethyl-quinazoline CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-ethylquinazoline IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-ethylquinazoline Traditional Name: 6-ethyl-4-(4-piperonylpiperazin-4-ium-1-yl)quinazoline Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=CN=C2N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCC1=CC2=C(C=C1)N=CN=C2N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H24N4O2/c1-2-16-3-5-19-18(11-16)22(24-14-23-19)26-9-7-25(8-10-26)13-17-4-6-20-21(12-17)28-15-27-20/h3-6,11-12,14H,2,7-10,13,15H2,1H3/p+1