1-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]urea Openeye Name: [3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]urea CAS Name: [3-[[4-[(3-chlorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]urea IUPAC Name: [3-[4-[(3-chlorophenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]urea Traditional Name: [3-[4-(3-chlorobenzyl)piperazin-4-ium-1-carbonyl]phenyl]urea Formula: C19H22ClN4O2+ MolecularWeight: 373.85658

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)Cl)C(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C19H21ClN4O2/c20-16-5-1-3-14(11-16)13-23-7-9-24(10-8-23)18(25)15-4-2-6-17(12-15)22-19(21)26/h1-6,11-12H,7-10,13H2,(H3,21,22,26)/p+1