4-(1,3-benzodioxol-5-ylmethyl)-N-(phenylcarbonyl)piperazin-4-ium-1-carboxamide

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-(phenylcarbonyl)piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-benzoyl-piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-benzoyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N-benzoylpiperazin-4-ium-1-carboxamide Traditional Name: N-benzoyl-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21N3O4/c24-19(16-4-2-1-3-5-16)21-20(25)23-10-8-22(9-11-23)13-15-6-7-17-18(12-15)27-14-26-17/h1-7,12H,8-11,13-14H2,(H,21,24,25)/p+1