6-ethyl-4-oxidanylidene-N-[(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide

Systemtic Name: 6-ethyl-4-oxidanylidene-N-[(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide Openeye Name: 6-ethyl-N-[(2R)-2-(4-isopropylphenyl)-2-piperidin-1-ium-1-yl-ethyl]-4-oxo-chromene-2-carboxamide CAS Name: 6-ethyl-4-oxo-N-[(2R)-2-(1-piperidin-1-iumyl)-2-(4-propan-2-ylphenyl)ethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-ethyl-4-oxo-N-[(2R)-2-piperidin-1-ium-1-yl-2-(4-propan-2-ylphenyl)ethyl]chromene-2-carboxamide Traditional Name: 6-ethyl-4-keto-N-[(2R)-2-p-cumenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Formula: C28H35N2O3+ MolecularWeight: 447.5891

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC(C3=CC=C(C=C3)C(C)C)[NH+]4CCCCC4

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=C(C=C3)C(C)C)[NH+]4CCCCC4

InChI

InChI=1S/C28H34N2O3/c1-4-20-8-13-26-23(16-20)25(31)17-27(33-26)28(32)29-18-24(30-14-6-5-7-15-30)22-11-9-21(10-12-22)19(2)3/h8-13,16-17,19,24H,4-7,14-15,18H2,1-3H3,(H,29,32)/p+1/t24-/m0/s1