[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(7-methoxybenzofuran-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(7-methoxy-2-benzofuranyl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(7-methoxy-1-benzofuran-2-yl)methanone Traditional Name: (7-methoxybenzofuran-2-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H23N2O5+ MolecularWeight: 395.42842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC2=C1OC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC=CC2=C1OC(=C2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H22N2O5/c1-26-18-4-2-3-16-12-20(29-21(16)18)22(25)24-9-7-23(8-10-24)13-15-5-6-17-19(11-15)28-14-27-17/h2-6,11-12H,7-10,13-14H2,1H3/p+1