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

Systemtic Name: 6-chloranyl-7-methyl-4-oxidanylidene-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide Openeye Name: 6-chloro-7-methyl-4-oxo-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide CAS Name: 6-chloro-7-methyl-4-oxo-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-chloro-7-methyl-4-oxo-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide Traditional Name: 6-chloro-4-keto-7-methyl-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide Formula: C22H24ClN2O3S+ MolecularWeight: 431.95556

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NCC(C3=CC=CS3)[NH+]4CCCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCCCC4)Cl

InChI

InChI=1S/C22H23ClN2O3S/c1-14-10-19-15(11-16(14)23)18(26)12-20(28-19)22(27)24-13-17(21-6-5-9-29-21)25-7-3-2-4-8-25/h5-6,9-12,17H,2-4,7-8,13H2,1H3,(H,24,27)/p+1/t17-/m0/s1