1-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]-3-phenyl-urea

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)NC2=CC=CC=C2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)NC2=CC=CC=C2)N3CC[NH+](CC3)C

InChI

InChI=1S/C21H28N4O/c1-17-8-10-18(11-9-17)20(25-14-12-24(2)13-15-25)16-22-21(26)23-19-6-4-3-5-7-19/h3-11,20H,12-16H2,1-2H3,(H2,22,23,26)/p+1/t20-/m0/s1