(3S)-1-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide

Systemtic Name: (3S)-1-[(6-chloranyl-7-methyl-2-oxidanylidene-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[(6-chloro-7-methyl-2-oxo-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[(6-chloro-7-methyl-2-oxo-1-benzopyran-4-yl)methyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[(6-chloro-2-keto-7-methyl-chromen-4-yl)methyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C23H24ClN2O3+ MolecularWeight: 411.90126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCCC(C3)C(=O)NC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)C[NH+]3CCC[C@@H](C3)C(=O)NC4=CC=CC=C4)Cl

InChI

InChI=1S/C23H23ClN2O3/c1-15-10-21-19(12-20(15)24)17(11-22(27)29-21)14-26-9-5-6-16(13-26)23(28)25-18-7-3-2-4-8-18/h2-4,7-8,10-12,16H,5-6,9,13-14H2,1H3,(H,25,28)/p+1/t16-/m0/s1