1-(2-nitrophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea

Systemtic Name: 1-(2-nitrophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Openeye Name: 1-(2-nitrophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea CAS Name: 1-(2-nitrophenyl)-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methyl]urea IUPAC Name: 1-(2-nitrophenyl)-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methyl]urea Traditional Name: 1-(2-nitrophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)benzyl]urea Formula: C20H25N4O3+ MolecularWeight: 369.4375

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O3/c25-20(22-18-6-2-3-7-19(18)24(26)27)21-14-16-8-10-17(11-9-16)15-23-12-4-1-5-13-23/h2-3,6-11H,1,4-5,12-15H2,(H2,21,22,25)/p+1