1-(4-methoxy-2-nitro-phenyl)-3-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]urea

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]urea Openeye Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]urea CAS Name: 1-(4-methoxy-2-nitrophenyl)-3-[(2S)-3-methyl-2-(1-pyrrolidin-1-iumyl)butyl]urea IUPAC Name: 1-(4-methoxy-2-nitrophenyl)-3-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-ylbutyl]urea Traditional Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(2S)-3-methyl-2-pyrrolidin-1-ium-1-yl-butyl]urea Formula: C17H27N4O4+ MolecularWeight: 351.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CNC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH+]2CCCC2

Isomeric SMILES

CC(C)[C@@H](CNC(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])[NH+]2CCCC2

InChI

InChI=1S/C17H26N4O4/c1-12(2)16(20-8-4-5-9-20)11-18-17(22)19-14-7-6-13(25-3)10-15(14)21(23)24/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3,(H2,18,19,22)/p+1/t16-/m1/s1