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

Systemtic Name: 4-bromanyl-3,5-dimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]benzamide Openeye Name: 4-bromo-3,5-dimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide CAS Name: 4-bromo-3,5-dimethoxy-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]benzamide IUPAC Name: 4-bromo-3,5-dimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]benzamide Traditional Name: 4-bromo-3,5-dimethoxy-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]benzamide Formula: C19H24BrN2O3S+ MolecularWeight: 440.37446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1Br)OC)C(=O)NCC(C2=CC=CS2)[NH+]3CCCC3

Isomeric SMILES

COC1=CC(=CC(=C1Br)OC)C(=O)NC[C@@H](C2=CC=CS2)[NH+]3CCCC3

InChI

InChI=1S/C19H23BrN2O3S/c1-24-15-10-13(11-16(25-2)18(15)20)19(23)21-12-14(17-6-5-9-26-17)22-7-3-4-8-22/h5-6,9-11,14H,3-4,7-8,12H2,1-2H3,(H,21,23)/p+1/t14-/m0/s1