N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-[(2R)-2-(4-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: 4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]butyramide Formula: C24H29N4O6+ MolecularWeight: 469.51026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)[NH+]4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H](CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)[NH+]4CCCC4

InChI

InChI=1S/C24H28N4O6/c1-33-19-9-6-17(7-10-19)21(26-12-2-3-13-26)16-25-23(29)5-4-14-27-20-11-8-18(28(31)32)15-22(20)34-24(27)30/h6-11,15,21H,2-5,12-14,16H2,1H3,(H,25,29)/p+1/t21-/m0/s1