(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[(2R)-2-(2-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C22H29ClN2O3+2 MolecularWeight: 404.93026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(C[NH2+]CC2=CC3=C(C(=C2)Cl)OCCO3)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=CC=C1[C@H](C[NH2+]CC2=CC3=C(C(=C2)Cl)OCCO3)[NH+]4CCCC4

InChI

InChI=1S/C22H27ClN2O3/c1-26-20-7-3-2-6-17(20)19(25-8-4-5-9-25)15-24-14-16-12-18(23)22-21(13-16)27-10-11-28-22/h2-3,6-7,12-13,19,24H,4-5,8-11,14-15H2,1H3/p+2/t19-/m0/s1