tert-butyl (2S)-2-(2-cyclopropyl-2-methylsulfanyl-ethyl)-1-naphthalen-1-ylcarbonyl-piperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(2-cyclopropyl-2-methylsulfanyl-ethyl)-1-naphthalen-1-ylcarbonyl-piperazin-1-ium-1-carboxylate Openeye Name: tert-butyl (2S)-2-(2-cyclopropyl-2-methylsulfanyl-ethyl)-1-(naphthalene-1-carbonyl)piperazin-1-ium-1-carboxylate CAS Name: (2S)-2-[2-cyclopropyl-2-(methylthio)ethyl]-1-[1-naphthalenyl(oxo)methyl]-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(2-cyclopropyl-2-methylsulfanylethyl)-1-(naphthalene-1-carbonyl)piperazin-1-ium-1-carboxylate Traditional Name: (2S)-2-[2-cyclopropyl-2-(methylthio)ethyl]-1-(1-naphthoyl)piperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C26H35N2O3S+ MolecularWeight: 455.6327

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCNCC1CC(C2CC2)SC)C(=O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCNC[C@@H]1CC(C2CC2)SC)C(=O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C26H35N2O3S/c1-26(2,3)31-25(30)28(15-14-27-17-20(28)16-23(32-4)19-12-13-19)24(29)22-11-7-9-18-8-5-6-10-21(18)22/h5-11,19-20,23,27H,12-17H2,1-4H3/q+1/t20-,23?,28?/m0/s1