1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone

Systemtic Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone Openeye Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone CAS Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone IUPAC Name: 1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2-(3,4-dihydro-2H-quinolin-1-yl)ethanone Traditional Name: 2-(3,4-dihydro-2H-quinolin-1-yl)-1-(4-piperonylpiperazin-4-ium-1-yl)ethanone Formula: C23H28N3O3+ MolecularWeight: 394.48672

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2N(C1)CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=CC=CC=C2N(C1)CC(=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H27N3O3/c27-23(16-26-9-3-5-19-4-1-2-6-20(19)26)25-12-10-24(11-13-25)15-18-7-8-21-22(14-18)29-17-28-21/h1-2,4,6-8,14H,3,5,9-13,15-17H2/p+1