2-azanylethanoyl-(2-hydroxyethyl)-phenyl-[2-(phenylsulfanylmethyl)hexanoyl]azanium

Systemtic Name: 2-azanylethanoyl-(2-hydroxyethyl)-phenyl-[2-(phenylsulfanylmethyl)hexanoyl]azanium Openeye Name: (2-aminoacetyl)-(2-hydroxyethyl)-phenyl-[2-(phenylsulfanylmethyl)hexanoyl]ammonium CAS Name: (2-amino-1-oxoethyl)-(2-hydroxyethyl)-[1-oxo-2-[(phenylthio)methyl]hexyl]-phenylammonium IUPAC Name: (2-aminoacetyl)-(2-hydroxyethyl)-phenyl-[2-(phenylsulfanylmethyl)hexanoyl]azanium Traditional Name: glycyl-(2-hydroxyethyl)-phenyl-[2-[(phenylthio)methyl]hexanoyl]ammonium Formula: C23H31N2O3S+ MolecularWeight: 415.56884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CSC1=CC=CC=C1)C(=O)[N+](CCO)(C2=CC=CC=C2)C(=O)CN

Isomeric SMILES

CCCCC(CSC1=CC=CC=C1)C(=O)[N+](CCO)(C2=CC=CC=C2)C(=O)CN

InChI

InChI=1S/C23H31N2O3S/c1-2-3-10-19(18-29-21-13-8-5-9-14-21)23(28)25(15-16-26,22(27)17-24)20-11-6-4-7-12-20/h4-9,11-14,19,26H,2-3,10,15-18,24H2,1H3/q+1