N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-piperonylamide Formula: C21H24N3O4+ MolecularWeight: 382.43296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H23N3O4/c25-20(13-22-21(26)17-6-7-18-19(12-17)28-15-27-18)24-10-8-23(9-11-24)14-16-4-2-1-3-5-16/h1-7,12H,8-11,13-15H2,(H,22,26)/p+1