[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5,6-dimethoxy-1H-indol-2-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5,6-dimethoxy-1H-indol-2-yl)methanone Traditional Name: (5,6-dimethoxy-1H-indol-2-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C23H26N3O5+ MolecularWeight: 424.46964

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(N2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(N2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C23H25N3O5/c1-28-20-11-16-10-18(24-17(16)12-21(20)29-2)23(27)26-7-5-25(6-8-26)13-15-3-4-19-22(9-15)31-14-30-19/h3-4,9-12,24H,5-8,13-14H2,1-2H3/p+1