tert-butyl N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate

Systemtic Name: tert-butyl N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]carbonylphenyl]carbamate Openeye Name: tert-butyl N-[3-[4-(o-tolylmethyl)piperazin-4-ium-1-carbonyl]phenyl]carbamate CAS Name: N-[3-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]phenyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-carbonyl]phenyl]carbamate Traditional Name: N-[3-[4-(2-methylbenzyl)piperazin-4-ium-1-carbonyl]phenyl]carbamic acid tert-butyl ester Formula: C24H32N3O3+ MolecularWeight: 410.52918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H31N3O3/c1-18-8-5-6-9-20(18)17-26-12-14-27(15-13-26)22(28)19-10-7-11-21(16-19)25-23(29)30-24(2,3)4/h5-11,16H,12-15,17H2,1-4H3,(H,25,29)/p+1