tert-butyl N-[[4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]carbamate

Systemtic Name: tert-butyl N-[[4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]methyl]carbamate Openeye Name: tert-butyl N-[[4-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]methyl]carbamate CAS Name: N-[[4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]methyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]methyl]carbamate Traditional Name: N-[4-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]benzyl]carbamic acid tert-butyl ester Formula: C25H34N3O3+ MolecularWeight: 424.55576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C(=O)C3=CC=C(C=C3)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C25H33N3O3/c1-19-7-5-6-8-22(19)18-27-13-15-28(16-14-27)23(29)21-11-9-20(10-12-21)17-26-24(30)31-25(2,3)4/h5-12H,13-18H2,1-4H3,(H,26,30)/p+1