N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-butoxy-benzamide

Systemtic Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]-4-butoxy-benzamide Openeye Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-4-butoxy-benzamide CAS Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-oxoethyl]-4-butoxybenzamide IUPAC Name: N-[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-oxoethyl]-4-butoxybenzamide Traditional Name: 4-butoxy-N-[2-keto-2-(4-piperonylpiperazin-4-ium-1-yl)ethyl]benzamide Formula: C25H32N3O5+ MolecularWeight: 454.53868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H31N3O5/c1-2-3-14-31-21-7-5-20(6-8-21)25(30)26-16-24(29)28-12-10-27(11-13-28)17-19-4-9-22-23(15-19)33-18-32-22/h4-9,15H,2-3,10-14,16-18H2,1H3,(H,26,30)/p+1