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

Systemtic Name: 1-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(4-nitrophenyl)urea CAS Name: 1-[(2R)-3-ethyl-2-(1-pyrrolidin-1-iumyl)pentyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-ylpentyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[(2R)-3-ethyl-2-pyrrolidin-1-ium-1-yl-pentyl]-3-(4-nitrophenyl)urea Formula: C18H29N4O3+ MolecularWeight: 349.44786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H28N4O3/c1-3-14(4-2)17(21-11-5-6-12-21)13-19-18(23)20-15-7-9-16(10-8-15)22(24)25/h7-10,14,17H,3-6,11-13H2,1-2H3,(H2,19,20,23)/p+1/t17-/m0/s1