tert-butyl N-[3-(1-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-ium-1-yl)-1-(triphenylmethyl)sulfanyl-propyl]carbamate

Systemtic Name: tert-butyl N-[3-(1-butyl-4-naphthalen-1-ylcarbonyl-piperazin-1-ium-1-yl)-1-(triphenylmethyl)sulfanyl-propyl]carbamate Openeye Name: tert-butyl N-[3-[1-butyl-4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]-1-tritylsulfanyl-propyl]carbamate CAS Name: N-[3-[1-butyl-4-[1-naphthalenyl(oxo)methyl]-1-piperazin-1-iumyl]-1-[(triphenylmethyl)thio]propyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[1-butyl-4-(naphthalene-1-carbonyl)piperazin-1-ium-1-yl]-1-tritylsulfanylpropyl]carbamate Traditional Name: N-[3-[1-butyl-4-(1-naphthoyl)piperazin-1-ium-1-yl]-1-(tritylthio)propyl]carbamic acid tert-butyl ester Formula: C46H54N3O3S+ MolecularWeight: 729.00426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)CCC(NC(=O)OC(C)(C)C)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

CCCC[N+]1(CCN(CC1)C(=O)C2=CC=CC3=CC=CC=C32)CCC(NC(=O)OC(C)(C)C)SC(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C46H53N3O3S/c1-5-6-32-49(34-30-48(31-35-49)43(50)41-28-18-20-36-19-16-17-27-40(36)41)33-29-42(47-44(51)52-45(2,3)4)53-46(37-21-10-7-11-22-37,38-23-12-8-13-24-38)39-25-14-9-15-26-39/h7-28,42H,5-6,29-35H2,1-4H3/p+1