2-[1-(2,2-dimethylpropanoyl)-4-[(2,6-dimethylpyridin-4-yl)methoxy]-1-oxidanyl-2-oxidanylidene-3-phenyl-3-pyrrolidin-1-yl-piperidin-1-ium-4-yl]ethanamide

Systemtic Name: 2-[1-(2,2-dimethylpropanoyl)-4-[(2,6-dimethylpyridin-4-yl)methoxy]-1-oxidanyl-2-oxidanylidene-3-phenyl-3-pyrrolidin-1-yl-piperidin-1-ium-4-yl]ethanamide Openeye Name: 2-[1-(2,2-dimethylpropanoyl)-4-[(2,6-dimethyl-4-pyridyl)methoxy]-1-hydroxy-2-oxo-3-phenyl-3-pyrrolidin-1-yl-piperidin-1-ium-4-yl]acetamide CAS Name: 2-[1-(2,2-dimethyl-1-oxopropyl)-4-[(2,6-dimethyl-4-pyridinyl)methoxy]-1-hydroxy-2-oxo-3-phenyl-3-(1-pyrrolidinyl)-4-piperidin-1-iumyl]acetamide IUPAC Name: 2-[1-(2,2-dimethylpropanoyl)-4-[(2,6-dimethylpyridin-4-yl)methoxy]-1-hydroxy-2-oxo-3-phenyl-3-pyrrolidin-1-ylpiperidin-1-ium-4-yl]acetamide Traditional Name: 2-[4-[(2,6-dimethyl-4-pyridyl)methoxy]-1-hydroxy-2-keto-3-phenyl-1-pivaloyl-3-pyrrolidino-piperidin-1-ium-4-yl]acetamide Formula: C30H41N4O5+ MolecularWeight: 537.67034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C)COC2(CC[N+](C(=O)C2(C3=CC=CC=C3)N4CCCC4)(C(=O)C(C)(C)C)O)CC(=O)N

Isomeric SMILES

CC1=CC(=CC(=N1)C)COC2(CC[N+](C(=O)C2(C3=CC=CC=C3)N4CCCC4)(C(=O)C(C)(C)C)O)CC(=O)N

InChI

InChI=1S/C30H40N4O5/c1-21-17-23(18-22(2)32-21)20-39-29(19-25(31)35)13-16-34(38,26(36)28(3,4)5)27(37)30(29,33-14-9-10-15-33)24-11-7-6-8-12-24/h6-8,11-12,17-18,38H,9-10,13-16,19-20H2,1-5H3,(H-,31,35)/p+1