N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-5-ethyl-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-5-ethyl-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-ethyl-3-methyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-5-ethyl-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-5-ethyl-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-ethyl-3-methyl-coumarilamide Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=C2C)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=C2C)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCCC4

InChI

InChI=1S/C24H30N2O2S/c1-3-18-10-11-21-19(15-18)17(2)23(28-21)24(27)25-16-20(22-9-8-14-29-22)26-12-6-4-5-7-13-26/h8-11,14-15,20H,3-7,12-13,16H2,1-2H3,(H,25,27)/p+1/t20-/m0/s1