1-(2-methoxy-5-methyl-phenyl)-3-[3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propyl]urea

Systemtic Name: 1-(2-methoxy-5-methyl-phenyl)-3-[3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propyl]urea Openeye Name: 1-(2-methoxy-5-methyl-phenyl)-3-[3-[4-(o-tolyl)piperazin-1-ium-1-yl]propyl]urea CAS Name: 1-(2-methoxy-5-methylphenyl)-3-[3-[4-(2-methylphenyl)-1-piperazin-1-iumyl]propyl]urea IUPAC Name: 1-(2-methoxy-5-methylphenyl)-3-[3-[4-(2-methylphenyl)piperazin-1-ium-1-yl]propyl]urea Traditional Name: 1-(2-methoxy-5-methyl-phenyl)-3-[3-[4-(o-tolyl)piperazin-1-ium-1-yl]propyl]urea Formula: C23H33N4O2+ MolecularWeight: 397.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)NCCC[NH+]2CCN(CC2)C3=CC=CC=C3C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)NCCC[NH+]2CCN(CC2)C3=CC=CC=C3C

InChI

InChI=1S/C23H32N4O2/c1-18-9-10-22(29-3)20(17-18)25-23(28)24-11-6-12-26-13-15-27(16-14-26)21-8-5-4-7-19(21)2/h4-5,7-10,17H,6,11-16H2,1-3H3,(H2,24,25,28)/p+1