N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-phenoxy-ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-phenoxy-ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-phenoxy-acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(4-methyl-1-piperazine-1,4-diiumyl)propyl]-2-phenoxyacetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-phenoxyacetamide Traditional Name: N-[3-(4-methylpiperazine-1,4-diium-1-yl)propyl]-2-phenoxy-N-piperonyl-acetamide Formula: C24H33N3O4+2 MolecularWeight: 427.53652

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCN(CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCN(CC2=CC3=C(C=C2)OCO3)C(=O)COC4=CC=CC=C4

InChI

InChI=1S/C24H31N3O4/c1-25-12-14-26(15-13-25)10-5-11-27(24(28)18-29-21-6-3-2-4-7-21)17-20-8-9-22-23(16-20)31-19-30-22/h2-4,6-9,16H,5,10-15,17-19H2,1H3/p+2