N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-methyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-6-methyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-6-methyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-6-methyl-chromene-2-carboxamide Formula: C27H33N2O3+ MolecularWeight: 433.56252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NCC(C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCCC4

InChI

InChI=1S/C27H32N2O3/c1-18-7-12-24-21(15-18)23(30)16-25(32-24)26(31)28-17-22(29-13-5-6-14-29)19-8-10-20(11-9-19)27(2,3)4/h7-12,15-16,22H,5-6,13-14,17H2,1-4H3,(H,28,31)/p+1/t22-/m0/s1