3,4-dimethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 3,4-dimethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 3,4-dimethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 3,4-dimethoxy-N-[[4-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 3,4-dimethoxy-N-[[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 3,4-dimethoxy-N-[4-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H27N2O3+ MolecularWeight: 355.45068

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)C[NH+]3CCCC3)OC

InChI

InChI=1S/C21H26N2O3/c1-25-19-10-9-18(13-20(19)26-2)21(24)22-14-16-5-7-17(8-6-16)15-23-11-3-4-12-23/h5-10,13H,3-4,11-12,14-15H2,1-2H3,(H,22,24)/p+1