1-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(4-nitrophenyl)urea CAS Name: 1-[(2R)-4-methyl-2-(1-pyrrolidin-1-iumyl)pentyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-ylpentyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[(2R)-4-methyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(4-nitrophenyl)urea Formula: C17H27N4O3+ MolecularWeight: 335.42128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26N4O3/c1-13(2)11-16(20-9-3-4-10-20)12-18-17(22)19-14-5-7-15(8-6-14)21(23)24/h5-8,13,16H,3-4,9-12H2,1-2H3,(H2,18,19,22)/p+1/t16-/m1/s1