N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-chloranyl-7-methyl-4-oxidanylidene-chromene-2-carboxamide

Systemtic Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-chloranyl-7-methyl-4-oxidanylidene-chromene-2-carboxamide Openeye Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-chloro-7-methyl-4-oxo-chromene-2-carboxamide CAS Name: N-[(2R)-2-(4-tert-butylphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-6-chloro-7-methyl-4-oxo-1-benzopyran-2-carboxamide IUPAC Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-6-chloro-7-methyl-4-oxochromene-2-carboxamide Traditional Name: N-[(2R)-2-(4-tert-butylphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-6-chloro-4-keto-7-methyl-chromene-2-carboxamide Formula: C27H32ClN2O3+ MolecularWeight: 468.00758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NCC(C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCCC4)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1)OC(=CC2=O)C(=O)NC[C@@H](C3=CC=C(C=C3)C(C)(C)C)[NH+]4CCCC4)Cl

InChI

InChI=1S/C27H31ClN2O3/c1-17-13-24-20(14-21(17)28)23(31)15-25(33-24)26(32)29-16-22(30-11-5-6-12-30)18-7-9-19(10-8-18)27(2,3)4/h7-10,13-15,22H,5-6,11-12,16H2,1-4H3,(H,29,32)/p+1/t22-/m0/s1