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

Systemtic Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone Openeye Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone CAS Name: [4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone IUPAC Name: [4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-(5-methoxy-3-methyl-1H-indol-2-yl)methanone Traditional Name: (5-methoxy-3-methyl-1H-indol-2-yl)-(4-piperonylpiperazin-4-ium-1-yl)methanone Formula: C23H26N3O4+ MolecularWeight: 408.47024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(NC2=C1C=C(C=C2)OC)C(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H25N3O4/c1-15-18-12-17(28-2)4-5-19(18)24-22(15)23(27)26-9-7-25(8-10-26)13-16-3-6-20-21(11-16)30-14-29-20/h3-6,11-12,24H,7-10,13-14H2,1-2H3/p+1