4-bromanyl-3,5-dimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[[2-(1-pyrrolidin-1-iumylmethyl)phenyl]methyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]methyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[2-(pyrrolidin-1-ium-1-ylmethyl)benzyl]benzamide Formula: C21H26BrN2O3+ MolecularWeight: 434.34674

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NCC2=CC=CC=C2C[NH+]3CCCC3

InChI

InChI=1S/C21H25BrN2O3/c1-26-18-11-17(12-19(27-2)20(18)22)21(25)23-13-15-7-3-4-8-16(15)14-24-9-5-6-10-24/h3-4,7-8,11-12H,5-6,9-10,13-14H2,1-2H3,(H,23,25)/p+1