tert-butyl 4-(diphenylmethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-(diphenylmethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-benzhydrylpiperazin-4-ium-1-carboxylate CAS Name: 4-(diphenylmethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-benzhydrylpiperazin-4-ium-1-carboxylate Traditional Name: 4-benzhydrylpiperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C22H29N2O2+ MolecularWeight: 353.47786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H28N2O2/c1-22(2,3)26-21(25)24-16-14-23(15-17-24)20(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20H,14-17H2,1-3H3/p+1