[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-prop-2-enoxyphenyl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-prop-2-enoxyphenyl)methanone Openeye Name: (3-allyloxyphenyl)-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(3-prop-2-enoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(3-prop-2-enoxyphenyl)methanone Traditional Name: (3-allyloxyphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H25N2O4+ MolecularWeight: 381.4449

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4/c1-2-12-26-19-5-3-4-18(14-19)22(25)24-10-8-23(9-11-24)15-17-6-7-20-21(13-17)28-16-27-20/h2-7,13-14H,1,8-12,15-16H2/p+1