(3S)-1-[[6,8-bis(chloranyl)-4-oxidanylidene-chromen-3-yl]methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[[6,8-bis(chloranyl)-4-oxidanylidene-chromen-3-yl]methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(6,8-dichloro-4-oxo-chromen-3-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(6,8-dichloro-4-oxo-1-benzopyran-3-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(6,8-dichloro-4-oxochromen-3-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(6,8-dichloro-4-keto-chromen-3-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C16H17Cl2N2O3+ MolecularWeight: 356.22378

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl)C(=O)N

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=COC3=C(C=C(C=C3C2=O)Cl)Cl)C(=O)N

InChI

InChI=1S/C16H16Cl2N2O3/c17-11-4-12-14(21)10(8-23-15(12)13(18)5-11)7-20-3-1-2-9(6-20)16(19)22/h4-5,8-9H,1-3,6-7H2,(H2,19,22)/p+1/t9-/m0/s1