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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(6-methoxy-1H-indol-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(6-methoxy-1H-indol-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(6-methoxy-1H-indol-2-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(6-methoxy-1H-indol-2-yl)methanone Traditional Name: (6-methoxy-1H-indol-2-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C22H24N3O4+ MolecularWeight: 394.44366

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(N2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(N2)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H23N3O4/c1-27-17-4-3-16-11-19(23-18(16)12-17)22(26)25-8-6-24(7-9-25)13-15-2-5-20-21(10-15)29-14-28-20/h2-5,10-12,23H,6-9,13-14H2,1H3/p+1