2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-1H-indol-3-yl)ethanamide

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-1H-indol-3-yl)ethanamide Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-1H-indol-3-yl)acetamide CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-methyl-1H-indol-3-yl)acetamide IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]-N-(2-methyl-1H-indol-3-yl)acetamide Traditional Name: N-(2-methyl-1H-indol-3-yl)-2-(4-piperonylpiperazine-1,4-diium-1-yl)acetamide Formula: C23H28N4O3+2 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O3/c1-16-23(18-4-2-3-5-19(18)24-16)25-22(28)14-27-10-8-26(9-11-27)13-17-6-7-20-21(12-17)30-15-29-20/h2-7,12,24H,8-11,13-15H2,1H3,(H,25,28)/p+2