3-[(3R)-1-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 3-[(3R)-1-[(5-chloranyl-2,3-dimethoxy-phenyl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 3-[(3R)-1-[(5-chloro-2,3-dimethoxy-phenyl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 3-[(3R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]-3-piperidin-1-iumyl]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 3-[(3R)-1-[(5-chloro-2,3-dimethoxyphenyl)methyl]piperidin-1-ium-3-yl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 3-[(3R)-1-(5-chloro-2,3-dimethoxy-benzyl)piperidin-1-ium-3-yl]-1-pyrrolidino-propan-1-one Formula: C21H32ClN2O3+ MolecularWeight: 395.94338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Cl)C[NH+]2CCCC(C2)CCC(=O)N3CCCC3)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)Cl)C[NH+]2CCC[C@@H](C2)CCC(=O)N3CCCC3)OC

InChI

InChI=1S/C21H31ClN2O3/c1-26-19-13-18(22)12-17(21(19)27-2)15-23-9-5-6-16(14-23)7-8-20(25)24-10-3-4-11-24/h12-13,16H,3-11,14-15H2,1-2H3/p+1/t16-/m1/s1