1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]azepane

Systemtic Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]azepane Openeye Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]azepane CAS Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]azepane IUPAC Name: 1-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]azepane Traditional Name: 1-(1-piperonylpiperidin-1-ium-4-yl)azepane Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H28N2O2/c1-2-4-10-21(9-3-1)17-7-11-20(12-8-17)14-16-5-6-18-19(13-16)23-15-22-18/h5-6,13,17H,1-4,7-12,14-15H2/p+1