1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone

Systemtic Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone Openeye Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-piperidin-1-ium-1-yl-ethanone CAS Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-pyrrolidinyl]-2-(1-piperidin-1-iumyl)ethanone IUPAC Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-piperidin-1-ium-1-ylethanone Traditional Name: 1-[(2R)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidino]-2-piperidin-1-ium-1-yl-ethanone Formula: C20H29N2O3+ MolecularWeight: 345.45586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC(=O)N2CCCC2C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1CC[NH+](CC1)CC(=O)N2CCC[C@@H]2C3=CC4=C(C=C3)OCCCO4

InChI

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