azepan-1-yl-[(3R)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]methanone

Systemtic Name: azepan-1-yl-[(3R)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Openeye Name: azepan-1-yl-[(3R)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]methanone CAS Name: 1-azepanyl-[(3R)-1-(1,3-benzodioxol-5-ylmethyl)-3-piperidin-1-iumyl]methanone IUPAC Name: azepan-1-yl-[(3R)-1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-3-yl]methanone Traditional Name: azepan-1-yl-[(3R)-1-piperonylpiperidin-1-ium-3-yl]methanone Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2CCC[NH+](C2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCCN(CC1)C(=O)[C@@H]2CCC[NH+](C2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H28N2O3/c23-20(22-10-3-1-2-4-11-22)17-6-5-9-21(14-17)13-16-7-8-18-19(12-16)25-15-24-18/h7-8,12,17H,1-6,9-11,13-15H2/p+1/t17-/m1/s1