ethyl 1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate

Systemtic Name: ethyl 1-[(6-methyl-4-oxidanylidene-chromen-3-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate Openeye Name: ethyl 1-[(6-methyl-4-oxo-chromen-3-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylate CAS Name: 1-[(6-methyl-4-oxo-1-benzopyran-3-yl)methyl]-4-phenethyl-4-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-[(6-methyl-4-oxochromen-3-yl)methyl]-4-phenethylpiperidin-1-ium-4-carboxylate Traditional Name: 1-[(4-keto-6-methyl-chromen-3-yl)methyl]-4-phenethyl-piperidin-1-ium-4-carboxylic acid ethyl ester Formula: C27H32NO4+ MolecularWeight: 434.54728

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC[NH+](CC1)CC2=COC3=C(C2=O)C=C(C=C3)C)CCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1(CC[NH+](CC1)CC2=COC3=C(C2=O)C=C(C=C3)C)CCC4=CC=CC=C4

InChI

InChI=1S/C27H31NO4/c1-3-31-26(30)27(12-11-21-7-5-4-6-8-21)13-15-28(16-14-27)18-22-19-32-24-10-9-20(2)17-23(24)25(22)29/h4-10,17,19H,3,11-16,18H2,1-2H3/p+1