N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3,4,6-trimethyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-3,4,6-trimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-3,4,6-trimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-3,4,6-trimethyl-coumarilamide Formula: C24H31N2O2S+ MolecularWeight: 411.58014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C(OC2=C1)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCCC4)C)C

Isomeric SMILES

CC1=CC(=C2C(=C(OC2=C1)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCCC4)C)C

InChI

InChI=1S/C24H30N2O2S/c1-16-13-17(2)22-18(3)23(28-20(22)14-16)24(27)25-15-19(21-9-8-12-29-21)26-10-6-4-5-7-11-26/h8-9,12-14,19H,4-7,10-11,15H2,1-3H3,(H,25,27)/p+1/t19-/m0/s1