3-bromanyl-4-methoxy-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide

Systemtic Name: 3-bromanyl-4-methoxy-N-[(3S)-1-(phenylmethyl)pyrrolidin-1-ium-3-yl]benzamide Openeye Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-bromo-4-methoxy-benzamide CAS Name: 3-bromo-4-methoxy-N-[(3S)-1-(phenylmethyl)-3-pyrrolidin-1-iumyl]benzamide IUPAC Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-bromo-4-methoxybenzamide Traditional Name: N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-3-bromo-4-methoxy-benzamide Formula: C19H22BrN2O2+ MolecularWeight: 390.29418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21BrN2O2/c1-24-18-8-7-15(11-17(18)20)19(23)21-16-9-10-22(13-16)12-14-5-3-2-4-6-14/h2-8,11,16H,9-10,12-13H2,1H3,(H,21,23)/p+1/t16-/m0/s1