5,7-dimethyl-4-oxidanylidene-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide

Systemtic Name: 5,7-dimethyl-4-oxidanylidene-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]chromene-2-carboxamide Openeye Name: 5,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-ium-1-yl-2-(2-thienyl)ethyl]chromene-2-carboxamide CAS Name: 5,7-dimethyl-4-oxo-N-[(2S)-2-(1-piperidin-1-iumyl)-2-thiophen-2-ylethyl]-1-benzopyran-2-carboxamide IUPAC Name: 5,7-dimethyl-4-oxo-N-[(2S)-2-piperidin-1-ium-1-yl-2-thiophen-2-ylethyl]chromene-2-carboxamide Traditional Name: 4-keto-5,7-dimethyl-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O3S/c1-15-11-16(2)22-18(26)13-20(28-19(22)12-15)23(27)24-14-17(21-7-6-10-29-21)25-8-4-3-5-9-25/h6-7,10-13,17H,3-5,8-9,14H2,1-2H3,(H,24,27)/p+1/t17-/m0/s1