(7-chloranyl-1,3-benzodioxol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: (7-chloro-1,3-benzodioxol-5-yl)-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone Formula: C18H19ClN3O3+ MolecularWeight: 360.81476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C18H18ClN3O3/c19-15-9-14(10-16-17(15)25-12-24-16)18(23)22-7-5-21(6-8-22)11-13-1-3-20-4-2-13/h1-4,9-10H,5-8,11-12H2/p+1