1-(4-nitrophenyl)-3-(2-piperidin-1-ium-1-ylethyl)urea

Systemtic Name: 1-(4-nitrophenyl)-3-(2-piperidin-1-ium-1-ylethyl)urea Openeye Name: 1-(4-nitrophenyl)-3-(2-piperidin-1-ium-1-ylethyl)urea CAS Name: 1-(4-nitrophenyl)-3-[2-(1-piperidin-1-iumyl)ethyl]urea IUPAC Name: 1-(4-nitrophenyl)-3-(2-piperidin-1-ium-1-ylethyl)urea Traditional Name: 1-(4-nitrophenyl)-3-(2-piperidin-1-ium-1-ylethyl)urea Formula: C14H21N4O3+ MolecularWeight: 293.34154

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CCNC(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H20N4O3/c19-14(15-8-11-17-9-2-1-3-10-17)16-12-4-6-13(7-5-12)18(20)21/h4-7H,1-3,8-11H2,(H2,15,16,19)/p+1