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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-oxo-chromene-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-4-oxochromene-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-keto-chromene-2-carboxamide Formula: C22H25N2O3S+ MolecularWeight: 397.5105

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)C(CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)C4=CC=CS4

Isomeric SMILES

C1CCC[NH+](CC1)[C@@H](CNC(=O)C2=CC(=O)C3=CC=CC=C3O2)C4=CC=CS4

InChI

InChI=1S/C22H24N2O3S/c25-18-14-20(27-19-9-4-3-8-16(18)19)22(26)23-15-17(21-10-7-13-28-21)24-11-5-1-2-6-12-24/h3-4,7-10,13-14,17H,1-2,5-6,11-12,15H2,(H,23,26)/p+1/t17-/m0/s1