1-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-pyridylmethyl)piperazin-4-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(3-pyridinylmethyl)piperazin-4-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-(pyridin-3-ylmethyl)piperazin-4-ium Traditional Name: 1-piperonyl-4-(3-pyridylmethyl)piperazin-4-ium Formula: C18H22N3O2+ MolecularWeight: 312.38618

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CN=CC=C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CN=CC=C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H21N3O2/c1-2-16(11-19-5-1)13-21-8-6-20(7-9-21)12-15-3-4-17-18(10-15)23-14-22-17/h1-5,10-11H,6-9,12-14H2/p+1