[1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Openeye Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-[(3R)-3-methyl-1-piperidyl]methanone CAS Name: [1-(1,3-benzodioxol-5-ylmethyl)-4-piperidin-1-iumyl]-[(3R)-3-methyl-1-piperidinyl]methanone IUPAC Name: [1-(1,3-benzodioxol-5-ylmethyl)piperidin-1-ium-4-yl]-[(3R)-3-methylpiperidin-1-yl]methanone Traditional Name: [(3R)-3-methylpiperidino]-(1-piperonylpiperidin-1-ium-4-yl)methanone Formula: C20H29N2O3+ MolecularWeight: 345.45586

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)C2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H28N2O3/c1-15-3-2-8-22(12-15)20(23)17-6-9-21(10-7-17)13-16-4-5-18-19(11-16)25-14-24-18/h4-5,11,15,17H,2-3,6-10,12-14H2,1H3/p+1/t15-/m1/s1