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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-quinoxalin-6-yl-methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-quinoxalin-6-yl-methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(6-quinoxalinyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-quinoxalin-6-ylmethanone Traditional Name: (4-piperonylpiperazin-4-ium-1-yl)-quinoxalin-6-yl-methanone Formula: C21H21N4O3+ MolecularWeight: 377.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=NC=CN=C5C=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)C4=CC5=NC=CN=C5C=C4

InChI

InChI=1S/C21H20N4O3/c26-21(16-2-3-17-18(12-16)23-6-5-22-17)25-9-7-24(8-10-25)13-15-1-4-19-20(11-15)28-14-27-19/h1-6,11-12H,7-10,13-14H2/p+1