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

Systemtic Name: 3-(1,3-benzoxazol-2-ylsulfanyl)propyl-[[2,6-di(propan-2-yl)phenyl]-piperazin-1-yl-carbamoyl]-ethyl-heptyl-azanium Openeye Name: 3-(1,3-benzoxazol-2-ylsulfanyl)propyl-[(2,6-diisopropylphenyl)-piperazin-1-yl-carbamoyl]-ethyl-heptyl-ammonium CAS Name: 3-(1,3-benzoxazol-2-ylthio)propyl-ethyl-heptyl-[oxo-[N-(1-piperazinyl)-2,6-di(propan-2-yl)anilino]methyl]ammonium IUPAC Name: 3-(1,3-benzoxazol-2-ylsulfanyl)propyl-[[2,6-di(propan-2-yl)phenyl]-piperazin-1-ylcarbamoyl]-ethyl-heptylazanium Traditional Name: 3-(1,3-benzoxazol-2-ylthio)propyl-[(2,6-diisopropylphenyl)-piperazino-carbamoyl]-ethyl-heptyl-ammonium Formula: C36H56N5O2S+ MolecularWeight: 622.92714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[N+](CC)(CCCSC1=NC2=CC=CC=C2O1)C(=O)N(C3=C(C=CC=C3C(C)C)C(C)C)N4CCNCC4

Isomeric SMILES

CCCCCCC[N+](CC)(CCCSC1=NC2=CC=CC=C2O1)C(=O)N(C3=C(C=CC=C3C(C)C)C(C)C)N4CCNCC4

InChI

InChI=1S/C36H56N5O2S/c1-7-9-10-11-14-25-41(8-2,26-16-27-44-35-38-32-19-12-13-20-33(32)43-35)36(42)40(39-23-21-37-22-24-39)34-30(28(3)4)17-15-18-31(34)29(5)6/h12-13,15,17-20,28-29,37H,7-11,14,16,21-27H2,1-6H3/q+1