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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-dipropoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-dipropoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3,4-dipropoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3,4-dipropoxyphenyl)methanone Traditional Name: (3,4-dipropoxyphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C25H33N2O5+ MolecularWeight: 441.53992

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)OCCC

InChI

InChI=1S/C25H32N2O5/c1-3-13-29-21-8-6-20(16-24(21)30-14-4-2)25(28)27-11-9-26(10-12-27)17-19-5-7-22-23(15-19)32-18-31-22/h5-8,15-16H,3-4,9-14,17-18H2,1-2H3/p+1