6-bromanyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: 6-bromanyl-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: 6-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-benzofuran-2-carboxamide CAS Name: 6-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: 6-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: 6-bromo-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3-methyl-coumarilamide Formula: C23H26BrN2O3+ MolecularWeight: 458.36814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC(=C2)Br)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC1=C(OC2=C1C=CC(=C2)Br)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C23H25BrN2O3/c1-15-19-10-7-17(24)13-21(19)29-22(15)23(27)25-14-20(26-11-3-4-12-26)16-5-8-18(28-2)9-6-16/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,25,27)/p+1/t20-/m1/s1