N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-5-chloranyl-3,6-dimethyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-5-chloranyl-3,6-dimethyl-1-benzofuran-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-chloro-3,6-dimethyl-benzofuran-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-5-chloro-3,6-dimethyl-2-benzofurancarboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-5-chloro-3,6-dimethyl-1-benzofuran-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-5-chloro-3,6-dimethyl-coumarilamide Formula: C23H28ClN2O2S+ MolecularWeight: 431.99862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27ClN2O2S/c1-15-12-20-17(13-18(15)24)16(2)22(28-20)23(27)25-14-19(21-8-7-11-29-21)26-9-5-3-4-6-10-26/h7-8,11-13,19H,3-6,9-10,14H2,1-2H3,(H,25,27)/p+1/t19-/m0/s1