N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2R)-2-(2-chlorophenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,6-dimethyl-coumarilamide Formula: C23H26ClN2O2+ MolecularWeight: 397.91774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NCC(C3=CC=CC=C3Cl)[NH+]4CCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC[C@@H](C3=CC=CC=C3Cl)[NH+]4CCCC4)C

InChI

InChI=1S/C23H25ClN2O2/c1-15-9-10-17-16(2)22(28-21(17)13-15)23(27)25-14-20(26-11-5-6-12-26)18-7-3-4-8-19(18)24/h3-4,7-10,13,20H,5-6,11-12,14H2,1-2H3,(H,25,27)/p+1/t20-/m0/s1