N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-3,5-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-3,5-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-3,5-dimethyl-coumarilamide Formula: C24H29N2O3+ MolecularWeight: 393.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=C2C)C(=O)NC[C@H](C3=CC=C(C=C3)OC)[NH+]4CCCC4

InChI

InChI=1S/C24H28N2O3/c1-16-6-11-22-20(14-16)17(2)23(29-22)24(27)25-15-21(26-12-4-5-13-26)18-7-9-19(28-3)10-8-18/h6-11,14,21H,4-5,12-13,15H2,1-3H3,(H,25,27)/p+1/t21-/m1/s1