tert-butyl 1-[(3,4-dimethylphenyl)methyl]-4-(phenylmethyl)piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-[(3,4-dimethylphenyl)methyl]-4-(phenylmethyl)piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-benzyl-1-[(3,4-dimethylphenyl)methyl]piperazin-1-ium-1-carboxylate CAS Name: 1-[(3,4-dimethylphenyl)methyl]-4-(phenylmethyl)-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzyl-1-[(3,4-dimethylphenyl)methyl]piperazin-1-ium-1-carboxylate Traditional Name: 4-benzyl-1-(3,4-dimethylbenzyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C25H35N2O2+ MolecularWeight: 395.5576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C[N+]2(CCN(CC2)CC3=CC=CC=C3)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)C[N+]2(CCN(CC2)CC3=CC=CC=C3)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C25H35N2O2/c1-20-11-12-23(17-21(20)2)19-27(24(28)29-25(3,4)5)15-13-26(14-16-27)18-22-9-7-6-8-10-22/h6-12,17H,13-16,18-19H2,1-5H3/q+1