N-(4-piperazin-4-ium-1-ylphenyl)-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-(4-piperazin-4-ium-1-ylphenyl)-1,3-benzodioxole-5-carboxamide Openeye Name: N-(4-piperazin-4-ium-1-ylphenyl)-1,3-benzodioxole-5-carboxamide CAS Name: N-[4-(1-piperazin-4-iumyl)phenyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-(4-piperazin-4-ium-1-ylphenyl)-1,3-benzodioxole-5-carboxamide Traditional Name: N-(4-piperazin-4-ium-1-ylphenyl)-piperonylamide Formula: C18H20N3O3+ MolecularWeight: 326.3697

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH2+]1)C2=CC=C(C=C2)NC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H19N3O3/c22-18(13-1-6-16-17(11-13)24-12-23-16)20-14-2-4-15(5-3-14)21-9-7-19-8-10-21/h1-6,11,19H,7-10,12H2,(H,20,22)/p+1