N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-7,8-dimethyl-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-7,8-dimethyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-7,8-dimethyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]-7,8-dimethyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide Traditional Name: 4-keto-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ium-1-yl-ethyl]-7,8-dimethyl-chromene-2-carboxamide Formula: C26H31N2O4+ MolecularWeight: 435.53534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NCC(C3=CC=C(C=C3)OC)[NH+]4CCCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NC[C@@H](C3=CC=C(C=C3)OC)[NH+]4CCCCC4)C

InChI

InChI=1S/C26H30N2O4/c1-17-7-12-21-23(29)15-24(32-25(21)18(17)2)26(30)27-16-22(28-13-5-4-6-14-28)19-8-10-20(31-3)11-9-19/h7-12,15,22H,4-6,13-14,16H2,1-3H3,(H,27,30)/p+1/t22-/m0/s1