[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium

Systemtic Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-methyl-(2-phenoxyethyl)azanium Openeye Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-methyl-(2-phenoxyethyl)ammonium CAS Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-methyl-(2-phenoxyethyl)ammonium IUPAC Name: [2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-methyl-(2-phenoxyethyl)azanium Traditional Name: [2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]-methyl-(2-phenoxyethyl)ammonium Formula: C23H31N3O4+2 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[NH+](CCOC1=CC=CC=C1)CC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N3O4/c1-24(13-14-28-20-5-3-2-4-6-20)17-23(27)26-11-9-25(10-12-26)16-19-7-8-21-22(15-19)30-18-29-21/h2-8,15H,9-14,16-18H2,1H3/p+2