N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-7,8-dimethyl-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-7,8-dimethyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-7,8-dimethyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-7,8-dimethyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-keto-7,8-dimethyl-chromene-2-carboxamide Formula: C24H29N2O3S+ MolecularWeight: 425.56366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H28N2O3S/c1-16-9-10-18-20(27)14-21(29-23(18)17(16)2)24(28)25-15-19(22-8-7-13-30-22)26-11-5-3-4-6-12-26/h7-10,13-14,19H,3-6,11-12,15H2,1-2H3,(H,25,28)/p+1/t19-/m0/s1