N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-6-chloranyl-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-6-chloranyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-6-chloro-4-oxo-chromene-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-6-chloro-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-6-chloro-4-oxochromene-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-6-chloro-4-keto-chromene-2-carboxamide Formula: C22H24ClN2O3S+ MolecularWeight: 431.95556

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=CS4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=O)C3=C(O2)C=CC(=C3)Cl)C4=CC=CS4

InChI

InChI=1S/C22H23ClN2O3S/c23-15-7-8-19-16(12-15)18(26)13-20(28-19)22(27)24-14-17(21-6-5-11-29-21)25-9-3-1-2-4-10-25/h5-8,11-13,17H,1-4,9-10,14H2,(H,24,27)/p+1/t17-/m0/s1