N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3,6-dimethyl-coumarilamide Formula: C23H29N2O2S+ MolecularWeight: 397.55356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCCC4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=C(O2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCCC4)C

InChI

InChI=1S/C23H28N2O2S/c1-16-9-10-18-17(2)22(27-20(18)14-16)23(26)24-15-19(21-8-7-13-28-21)25-11-5-3-4-6-12-25/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3,(H,24,26)/p+1/t19-/m0/s1