1,3-benzodioxol-5-yl-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 1,3-benzodioxol-5-yl-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 1,3-benzodioxol-5-yl-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 1,3-benzodioxol-5-yl-[4-(8-quinolinylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 1,3-benzodioxol-5-yl-[4-(quinolin-8-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 1,3-benzodioxol-5-yl-[4-(8-quinolylmethyl)piperazin-4-ium-1-yl]methanone Formula: C22H22N3O3+ MolecularWeight: 376.42838

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C22H21N3O3/c26-22(17-6-7-19-20(13-17)28-15-27-19)25-11-9-24(10-12-25)14-18-4-1-3-16-5-2-8-23-21(16)18/h1-8,13H,9-12,14-15H2/p+1