3-bromanyl-2,5-dimethoxy-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 3-bromanyl-2,5-dimethoxy-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-bromo-2,5-dimethoxy-benzamide CAS Name: 3-bromo-2,5-dimethoxy-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-bromo-2,5-dimethoxybenzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-bromo-2,5-dimethoxy-benzamide Formula: C20H24BrN2O3+ MolecularWeight: 420.32016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C(=C1)C(=O)NC2CC[NH+](C2)CC3=CC=CC=C3)OC)Br

Isomeric SMILES

COC1=CC(=C(C(=C1)C(=O)N[C@H]2CC[NH+](C2)CC3=CC=CC=C3)OC)Br

InChI

InChI=1S/C20H23BrN2O3/c1-25-16-10-17(19(26-2)18(21)11-16)20(24)22-15-8-9-23(13-15)12-14-6-4-3-5-7-14/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,22,24)/p+1/t15-/m0/s1