1,3-bis[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]urea

Systemtic Name: 1,3-bis[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]urea Openeye Name: 1,3-bis[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]urea CAS Name: 1,3-bis[3-methyl-4-(4-methyl-1-piperazin-4-iumyl)phenyl]urea IUPAC Name: 1,3-bis[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]urea Traditional Name: 1,3-bis[3-methyl-4-(4-methylpiperazin-4-ium-1-yl)phenyl]urea Formula: C25H38N6O+2 MolecularWeight: 438.60882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)C)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)NC2=CC(=C(C=C2)N3CC[NH+](CC3)C)C)N4CC[NH+](CC4)C

InChI

InChI=1S/C25H36N6O/c1-19-17-21(5-7-23(19)30-13-9-28(3)10-14-30)26-25(32)27-22-6-8-24(20(2)18-22)31-15-11-29(4)12-16-31/h5-8,17-18H,9-16H2,1-4H3,(H2,26,27,32)/p+2