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

Systemtic Name: 1-(3-methylphenyl)-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]urea Openeye Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]-3-(m-tolyl)urea CAS Name: 1-(3-methylphenyl)-3-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazin-4-iumyl)ethyl]urea IUPAC Name: 1-(3-methylphenyl)-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazin-4-ium-1-yl)ethyl]urea Traditional Name: 1-[(2R)-2-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolyl)ethyl]-3-(m-tolyl)urea Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-17-7-9-19(10-8-17)21(26-13-11-25(3)12-14-26)16-23-22(27)24-20-6-4-5-18(2)15-20/h4-10,15,21H,11-14,16H2,1-3H3,(H2,23,24,27)/p+1/t21-/m0/s1