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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(2-methoxyphenyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(2-methoxyphenyl)methanone Traditional Name: (2-methoxyphenyl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C20H23N2O4+ MolecularWeight: 355.40762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=CC=CC=C1C(=O)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O4/c1-24-17-5-3-2-4-16(17)20(23)22-10-8-21(9-11-22)13-15-6-7-18-19(12-15)26-14-25-18/h2-7,12H,8-11,13-14H2,1H3/p+1