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

Systemtic Name: 1-(4-nitrophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea Openeye Name: 1-(4-nitrophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea CAS Name: 1-(4-nitrophenyl)-3-[4-(1-piperidin-1-iumylmethyl)phenyl]urea IUPAC Name: 1-(4-nitrophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea Traditional Name: 1-(4-nitrophenyl)-3-[4-(piperidin-1-ium-1-ylmethyl)phenyl]urea Formula: C19H23N4O3+ MolecularWeight: 355.41092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N4O3/c24-19(21-17-8-10-18(11-9-17)23(25)26)20-16-6-4-15(5-7-16)14-22-12-2-1-3-13-22/h4-11H,1-3,12-14H2,(H2,20,21,24)/p+1