1-tert-butyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]urea

Systemtic Name: 1-tert-butyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]urea Openeye Name: 1-tert-butyl-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]urea CAS Name: 1-tert-butyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methyl-1-piperazine-1,4-diiumyl)ethyl]urea IUPAC Name: 1-tert-butyl-3-[(2R)-2-(4-methylphenyl)-2-(4-methylpiperazine-1,4-diium-1-yl)ethyl]urea Traditional Name: 1-tert-butyl-3-[(2R)-2-(4-methylpiperazine-1,4-diium-1-yl)-2-(p-tolyl)ethyl]urea Formula: C19H34N4O+2 MolecularWeight: 334.49946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(CNC(=O)NC(C)(C)C)[NH+]2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H](CNC(=O)NC(C)(C)C)[NH+]2CC[NH+](CC2)C

InChI

InChI=1S/C19H32N4O/c1-15-6-8-16(9-7-15)17(23-12-10-22(5)11-13-23)14-20-18(24)21-19(2,3)4/h6-9,17H,10-14H2,1-5H3,(H2,20,21,24)/p+2/t17-/m0/s1