1-(4-butyl-2-methyl-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]urea

Systemtic Name: 1-(4-butyl-2-methyl-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]urea Openeye Name: 1-(4-butyl-2-methyl-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]urea CAS Name: 1-(4-butyl-2-methylphenyl)-3-[4-(4-methyl-1-piperazin-4-iumyl)phenyl]urea IUPAC Name: 1-(4-butyl-2-methylphenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]urea Traditional Name: 1-(4-butyl-2-methyl-phenyl)-3-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]urea Formula: C23H33N4O+ MolecularWeight: 381.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CCCCC1=CC(=C(C=C1)NC(=O)NC2=CC=C(C=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C23H32N4O/c1-4-5-6-19-7-12-22(18(2)17-19)25-23(28)24-20-8-10-21(11-9-20)27-15-13-26(3)14-16-27/h7-12,17H,4-6,13-16H2,1-3H3,(H2,24,25,28)/p+1