1-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]urea

Systemtic Name: 1-[3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]urea Openeye Name: [3-[4-[(4-isopropylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]urea CAS Name: [3-[oxo-[4-[(4-propan-2-ylphenyl)methyl]-1-piperazin-4-iumyl]methyl]phenyl]urea IUPAC Name: [3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]urea Traditional Name: [3-[4-(4-isopropylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]urea Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C[NH+]2CCN(CC2)C(=O)C3=CC(=CC=C3)NC(=O)N

InChI

InChI=1S/C22H28N4O2/c1-16(2)18-8-6-17(7-9-18)15-25-10-12-26(13-11-25)21(27)19-4-3-5-20(14-19)24-22(23)28/h3-9,14,16H,10-13,15H2,1-2H3,(H3,23,24,28)/p+1