(3S)-N,N-diethyl-1-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-N,N-diethyl-1-[(7-oxidanyl-4-oxidanylidene-3-phenyl-chromen-8-yl)methyl]piperidin-1-ium-3-carboxamide Openeye Name: (3S)-N,N-diethyl-1-[(7-hydroxy-4-oxo-3-phenyl-chromen-8-yl)methyl]piperidin-1-ium-3-carboxamide CAS Name: (3S)-N,N-diethyl-1-[(7-hydroxy-4-oxo-3-phenyl-1-benzopyran-8-yl)methyl]-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-N,N-diethyl-1-[(7-hydroxy-4-oxo-3-phenylchromen-8-yl)methyl]piperidin-1-ium-3-carboxamide Traditional Name: (3S)-N,N-diethyl-1-[(7-hydroxy-4-keto-3-phenyl-chromen-8-yl)methyl]piperidin-1-ium-3-carboxamide Formula: C26H31N2O4+ MolecularWeight: 435.53534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O

Isomeric SMILES

CCN(CC)C(=O)[C@H]1CCC[NH+](C1)CC2=C(C=CC3=C2OC=C(C3=O)C4=CC=CC=C4)O

InChI

InChI=1S/C26H30N2O4/c1-3-28(4-2)26(31)19-11-8-14-27(15-19)16-21-23(29)13-12-20-24(30)22(17-32-25(20)21)18-9-6-5-7-10-18/h5-7,9-10,12-13,17,19,29H,3-4,8,11,14-16H2,1-2H3/p+1/t19-/m0/s1