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

Systemtic Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-yl-ethyl]-7-methyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-7-methyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2S)-2-(1-azepan-1-iumyl)-2-thiophen-2-ylethyl]-7-methyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-thiophen-2-ylethyl]-7-methyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2S)-2-(azepan-1-ium-1-yl)-2-(2-thienyl)ethyl]-4-keto-7-methyl-chromene-2-carboxamide Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)C=C(O2)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCCC4

InChI

InChI=1S/C23H26N2O3S/c1-16-8-9-17-19(26)14-21(28-20(17)13-16)23(27)24-15-18(22-7-6-12-29-22)25-10-4-2-3-5-11-25/h6-9,12-14,18H,2-5,10-11,15H2,1H3,(H,24,27)/p+1/t18-/m0/s1