N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide

Systemtic Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Openeye Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide CAS Name: N-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide IUPAC Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide Traditional Name: N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,4-dihydro-2H-1,5-benzodioxepin-7-carboxamide Formula: C23H29N2O4+ MolecularWeight: 397.48736

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CNC(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](CNC(=O)C2=CC3=C(C=C2)OCCCO3)[NH+]4CCCC4

InChI

InChI=1S/C23H28N2O4/c1-27-20-8-3-2-7-18(20)19(25-11-4-5-12-25)16-24-23(26)17-9-10-21-22(15-17)29-14-6-13-28-21/h2-3,7-10,15,19H,4-6,11-14,16H2,1H3,(H,24,26)/p+1/t19-/m0/s1