(3-chloranyl-4,5-dimethoxy-phenyl)methyl-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium

Systemtic Name: (3-chloranyl-4,5-dimethoxy-phenyl)methyl-[[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]methyl]azanium Openeye Name: (3-chloro-4,5-dimethoxy-phenyl)methyl-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]ammonium CAS Name: (3-chloro-4,5-dimethoxyphenyl)methyl-[[4-(2-oxo-1-pyrrolidinyl)phenyl]methyl]ammonium IUPAC Name: (3-chloro-4,5-dimethoxyphenyl)methyl-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]azanium Traditional Name: (3-chloro-4,5-dimethoxy-benzyl)-[4-(2-ketopyrrolidino)benzyl]ammonium Formula: C20H24ClN2O3+ MolecularWeight: 375.86916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)N3CCCC3=O)Cl)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH2+]CC2=CC=C(C=C2)N3CCCC3=O)Cl)OC

InChI

InChI=1S/C20H23ClN2O3/c1-25-18-11-15(10-17(21)20(18)26-2)13-22-12-14-5-7-16(8-6-14)23-9-3-4-19(23)24/h5-8,10-11,22H,3-4,9,12-13H2,1-2H3/p+1