N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide

Systemtic Name: N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Openeye Name: N-ethyl-N-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide CAS Name: N-ethyl-N-[[1-(1-methyl-4-piperidinyl)-4-piperidin-1-iumyl]methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide IUPAC Name: N-ethyl-N-[[1-(1-methylpiperidin-4-yl)piperidin-1-ium-4-yl]methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide Traditional Name: N-ethyl-N-[[1-(1-methyl-4-piperidyl)piperidin-1-ium-4-yl]methyl]-2,3-dihydro-1,4-benzodioxin-6-carboxamide Formula: C23H36N3O3+ MolecularWeight: 402.55024

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1CC[NH+](CC1)C2CCN(CC2)C)C(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCN(CC1CC[NH+](CC1)C2CCN(CC2)C)C(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H35N3O3/c1-3-25(23(27)19-4-5-21-22(16-19)29-15-14-28-21)17-18-6-12-26(13-7-18)20-8-10-24(2)11-9-20/h4-5,16,18,20H,3,6-15,17H2,1-2H3/p+1