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

Systemtic Name: 6-ethyl-4-oxidanylidene-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide Openeye Name: 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide CAS Name: 6-ethyl-4-oxo-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-ethyl-4-oxo-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide Traditional Name: 6-ethyl-4-keto-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide Formula: C23H27N2O3S+ MolecularWeight: 411.53708

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCC4

InChI

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