1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine-1,4-diium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-benzylpiperidin-1-ium-4-yl)piperazine-1,4-diium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine-1,4-diium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(1-benzylpiperidin-1-ium-4-yl)piperazine-1,4-diium Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-piperonyl-piperazine-1,4-diium Formula: C24H34N3O2+3 MolecularWeight: 396.54566

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

C1C[NH+](CCC1[NH+]2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C24H31N3O2/c1-2-4-20(5-3-1)17-25-10-8-22(9-11-25)27-14-12-26(13-15-27)18-21-6-7-23-24(16-21)29-19-28-23/h1-7,16,22H,8-15,17-19H2/p+3