1-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(3-methylphenyl)urea

Systemtic Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(3-methylphenyl)urea Openeye Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(m-tolyl)urea CAS Name: 1-[4-(4-ethyl-1-piperazin-4-iumyl)-2-methylphenyl]-3-(3-methylphenyl)urea IUPAC Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methylphenyl]-3-(3-methylphenyl)urea Traditional Name: 1-[4-(4-ethylpiperazin-4-ium-1-yl)-2-methyl-phenyl]-3-(m-tolyl)urea Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)NC3=CC=CC(=C3)C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC(=C(C=C2)NC(=O)NC3=CC=CC(=C3)C)C

InChI

InChI=1S/C21H28N4O/c1-4-24-10-12-25(13-11-24)19-8-9-20(17(3)15-19)23-21(26)22-18-7-5-6-16(2)14-18/h5-9,14-15H,4,10-13H2,1-3H3,(H2,22,23,26)/p+1