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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-1H-indole Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-1H-indole CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-2-methyl-1H-indole IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-2-methyl-1H-indole Traditional Name: 2-methyl-3-[(4-piperonylpiperazin-1-ium-1-yl)methyl]-1H-indole Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C[NH+]3CCN(CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H25N3O2/c1-16-19(18-4-2-3-5-20(18)23-16)14-25-10-8-24(9-11-25)13-17-6-7-21-22(12-17)27-15-26-21/h2-7,12,23H,8-11,13-15H2,1H3/p+1