1-(4-cyanophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]urea

Systemtic Name: 1-(4-cyanophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]urea Openeye Name: 1-(4-cyanophenyl)-3-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]urea CAS Name: 1-(4-cyanophenyl)-3-[3-[4-(3-methylphenyl)-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-(4-cyanophenyl)-3-[3-[4-(3-methylphenyl)piperazin-1-ium-1-yl]propyl]urea Traditional Name: 1-(4-cyanophenyl)-3-[3-[4-(m-tolyl)piperazin-1-ium-1-yl]propyl]urea Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCNC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2CC[NH+](CC2)CCCNC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H27N5O/c1-18-4-2-5-21(16-18)27-14-12-26(13-15-27)11-3-10-24-22(28)25-20-8-6-19(17-23)7-9-20/h2,4-9,16H,3,10-15H2,1H3,(H2,24,25,28)/p+1