2-[3-[[(1S)-1-(furan-2-yl)ethyl]-methyl-carbamoyl]-6-methyl-4-oxidanylidene-2-phenethyl-pyridin-1-yl]ethyl-dimethyl-azanium

Systemtic Name: 2-[3-[[(1S)-1-(furan-2-yl)ethyl]-methyl-carbamoyl]-6-methyl-4-oxidanylidene-2-phenethyl-pyridin-1-yl]ethyl-dimethyl-azanium Openeye Name: 2-[3-[[(1S)-1-(2-furyl)ethyl]-methyl-carbamoyl]-6-methyl-4-oxo-2-phenethyl-1-pyridyl]ethyl-dimethyl-ammonium CAS Name: 2-[3-[[[(1S)-1-(2-furanyl)ethyl]-methylamino]-oxomethyl]-6-methyl-4-oxo-2-phenethyl-1-pyridinyl]ethyl-dimethylammonium IUPAC Name: 2-[3-[[(1S)-1-(furan-2-yl)ethyl]-methylcarbamoyl]-6-methyl-4-oxo-2-phenethylpyridin-1-yl]ethyl-dimethylazanium Traditional Name: 2-[3-[[(1S)-1-(2-furyl)ethyl]-methyl-carbamoyl]-4-keto-6-methyl-2-phenethyl-1-pyridyl]ethyl-dimethyl-ammonium Formula: C26H34N3O3+ MolecularWeight: 436.56646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CCC2=CC=CC=C2)C(=O)N(C)C(C)C3=CC=CO3

Isomeric SMILES

CC1=CC(=O)C(=C(N1CC[NH+](C)C)CCC2=CC=CC=C2)C(=O)N(C)[C@@H](C)C3=CC=CO3

InChI

InChI=1S/C26H33N3O3/c1-19-18-23(30)25(26(31)28(5)20(2)24-12-9-17-32-24)22(29(19)16-15-27(3)4)14-13-21-10-7-6-8-11-21/h6-12,17-18,20H,13-16H2,1-5H3/p+1/t20-/m0/s1