1-(2,6-dimethylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea

Systemtic Name: 1-(2,6-dimethylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Openeye Name: 1-(2,6-dimethylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea CAS Name: 1-(2,6-dimethylphenyl)-3-[2-(4-phenyl-1-piperazin-1-iumyl)ethyl]urea IUPAC Name: 1-(2,6-dimethylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Traditional Name: 1-(2,6-dimethylphenyl)-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c1-17-7-6-8-18(2)20(17)23-21(26)22-11-12-24-13-15-25(16-14-24)19-9-4-3-5-10-19/h3-10H,11-16H2,1-2H3,(H2,22,23,26)/p+1