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

Systemtic Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]urea Openeye Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]urea CAS Name: 1-(4-methoxy-2-nitrophenyl)-3-[(2S)-4-methyl-2-(1-pyrrolidin-1-iumyl)pentyl]urea IUPAC Name: 1-(4-methoxy-2-nitrophenyl)-3-[(2S)-4-methyl-2-pyrrolidin-1-ium-1-ylpentyl]urea Traditional Name: 1-(4-methoxy-2-nitro-phenyl)-3-[(2S)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]urea Formula: C18H29N4O4+ MolecularWeight: 365.44726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O4/c1-13(2)10-14(21-8-4-5-9-21)12-19-18(23)20-16-7-6-15(26-3)11-17(16)22(24)25/h6-7,11,13-14H,4-5,8-10,12H2,1-3H3,(H2,19,20,23)/p+1/t14-/m0/s1