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

Systemtic Name: 6-methyl-4-oxidanylidene-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Openeye Name: 6-methyl-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide CAS Name: 6-methyl-4-oxo-N-[(2R)-2-phenyl-2-(1-piperidin-1-iumyl)ethyl]-1-benzopyran-2-carboxamide IUPAC Name: 6-methyl-4-oxo-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-ylethyl]chromene-2-carboxamide Traditional Name: 4-keto-6-methyl-N-[(2R)-2-phenyl-2-piperidin-1-ium-1-yl-ethyl]chromene-2-carboxamide Formula: C24H27N2O3+ MolecularWeight: 391.48278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC(C3=CC=CC=C3)[NH+]4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCCC4

InChI

InChI=1S/C24H26N2O3/c1-17-10-11-22-19(14-17)21(27)15-23(29-22)24(28)25-16-20(18-8-4-2-5-9-18)26-12-6-3-7-13-26/h2,4-5,8-11,14-15,20H,3,6-7,12-13,16H2,1H3,(H,25,28)/p+1/t20-/m0/s1