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

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diphenyl-piperazin-4-ium-1-carboxamide Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diphenyl-piperazin-4-ium-1-carboxamide CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diphenyl-1-piperazin-4-iumcarboxamide IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-N,N-diphenylpiperazin-4-ium-1-carboxamide Traditional Name: N,N-diphenyl-4-piperonyl-piperazin-4-ium-1-carboxamide Formula: C25H26N3O3+ MolecularWeight: 416.49224

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)C(=O)N(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N3O3/c29-25(28(21-7-3-1-4-8-21)22-9-5-2-6-10-22)27-15-13-26(14-16-27)18-20-11-12-23-24(17-20)31-19-30-23/h1-12,17H,13-16,18-19H2/p+1