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

Systemtic Name: 1-[3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]urea Openeye Name: [3-[4-(m-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]urea CAS Name: [3-[[4-[(3-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]urea IUPAC Name: [3-[4-[(3-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]urea Traditional Name: [3-[4-(3-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]urea Formula: C20H25N4O2+ MolecularWeight: 353.4381

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

CC1=CC(=CC=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C20H24N4O2/c1-15-4-2-5-16(12-15)14-23-8-10-24(11-9-23)19(25)17-6-3-7-18(13-17)22-20(21)26/h2-7,12-13H,8-11,14H2,1H3,(H3,21,22,26)/p+1