N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3,6,7-trimethyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-3,6,7-trimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3,6,7-trimethyl-coumarilamide Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCCC4)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=C(O2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCCC4)C)C

InChI

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