1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea

Systemtic Name: 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Openeye Name: 1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(p-tolyl)urea CAS Name: 1-(4-methylphenyl)-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]urea IUPAC Name: 1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Traditional Name: 1-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]-3-(p-tolyl)urea Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O/c1-17-7-9-18(10-8-17)22-20(25)21-11-12-23-13-15-24(16-14-23)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3,(H2,21,22,25)/p+1