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

Systemtic Name: tert-butyl N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxidanylidene-propyl]carbamate Openeye Name: tert-butyl N-[3-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]-3-oxo-propyl]carbamate CAS Name: N-[3-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-3-oxopropyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-3-oxopropyl]carbamate Traditional Name: N-[3-keto-3-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]propyl]carbamic acid tert-butyl ester Formula: C20H32N3O3+ MolecularWeight: 362.48638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3/c1-16-7-5-6-8-17(16)15-22-11-13-23(14-12-22)18(24)9-10-21-19(25)26-20(2,3)4/h5-8H,9-15H2,1-4H3,(H,21,25)/p+1