[2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone Openeye Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-yl-methanone CAS Name: [2-[[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-piperidin-1-iumyl]oxy]phenyl]-(1-pyrrolidinyl)methanone IUPAC Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidin-1-ylmethanone Traditional Name: [2-[1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperidin-1-ium-4-yl]oxyphenyl]-pyrrolidino-methanone Formula: C25H31N2O4+ MolecularWeight: 423.52464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=CC=C2OC3CC[NH+](CC3)CC4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C25H30N2O4/c28-25(27-11-3-4-12-27)21-5-1-2-6-22(21)31-20-9-13-26(14-10-20)18-19-7-8-23-24(17-19)30-16-15-29-23/h1-2,5-8,17,20H,3-4,9-16,18H2/p+1