[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-diethoxyphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-diethoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-diethoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3,4-diethoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-diethoxyphenyl)methanone Traditional Name: (3,4-diethoxyphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C23H29N2O5+ MolecularWeight: 413.48676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O5/c1-3-27-19-8-6-18(14-22(19)28-4-2)23(26)25-11-9-24(10-12-25)15-17-5-7-20-21(13-17)30-16-29-20/h5-8,13-14H,3-4,9-12,15-16H2,1-2H3/p+1