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

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-7,8-dimethyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-7,8-dimethyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-7,8-dimethyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-7,8-dimethyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-keto-7,8-dimethyl-chromene-2-carboxamide Formula: C28H35N2O3+ MolecularWeight: 447.5891

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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)C(C)(C)C)[NH+]4CCCC4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(O2)C(=O)NC[C@@H](C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCCC4)C

InChI

InChI=1S/C28H34N2O3/c1-18-8-13-22-24(31)16-25(33-26(22)19(18)2)27(32)29-17-23(30-14-6-7-15-30)20-9-11-21(12-10-20)28(3,4)5/h8-13,16,23H,6-7,14-15,17H2,1-5H3,(H,29,32)/p+1/t23-/m0/s1