2-(1,3-benzoxazol-2-ylsulfanyl)ethyl-[[2,6-di(propan-2-yl)phenyl]-piperazin-1-yl-carbamoyl]-ethyl-heptyl-azanium

Systemtic Name: 2-(1,3-benzoxazol-2-ylsulfanyl)ethyl-[[2,6-di(propan-2-yl)phenyl]-piperazin-1-yl-carbamoyl]-ethyl-heptyl-azanium Openeye Name: 2-(1,3-benzoxazol-2-ylsulfanyl)ethyl-[(2,6-diisopropylphenyl)-piperazin-1-yl-carbamoyl]-ethyl-heptyl-ammonium CAS Name: 2-(1,3-benzoxazol-2-ylthio)ethyl-ethyl-heptyl-[oxo-[N-(1-piperazinyl)-2,6-di(propan-2-yl)anilino]methyl]ammonium IUPAC Name: 2-(1,3-benzoxazol-2-ylsulfanyl)ethyl-[[2,6-di(propan-2-yl)phenyl]-piperazin-1-ylcarbamoyl]-ethyl-heptylazanium Traditional Name: 2-(1,3-benzoxazol-2-ylthio)ethyl-[(2,6-diisopropylphenyl)-piperazino-carbamoyl]-ethyl-heptyl-ammonium Formula: C35H54N5O2S+ MolecularWeight: 608.90056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CCSC1=NC2=CC=CC=C2O1)C(=O)N(C3=C(C=CC=C3C(C)C)C(C)C)N4CCNCC4

Isomeric SMILES

CCCCCCC[N+](CC)(CCSC1=NC2=CC=CC=C2O1)C(=O)N(C3=C(C=CC=C3C(C)C)C(C)C)N4CCNCC4

InChI

InChI=1S/C35H54N5O2S/c1-7-9-10-11-14-24-40(8-2,25-26-43-34-37-31-18-12-13-19-32(31)42-34)35(41)39(38-22-20-36-21-23-38)33-29(27(3)4)16-15-17-30(33)28(5)6/h12-13,15-19,27-28,36H,7-11,14,20-26H2,1-6H3/q+1