bis(phenylmethyl)-(1-propylpyrazol-4-yl)-(2-sulfoethanoyl)azanium

Systemtic Name: bis(phenylmethyl)-(1-propylpyrazol-4-yl)-(2-sulfoethanoyl)azanium Openeye Name: dibenzyl-(1-propylpyrazol-4-yl)-(2-sulfoacetyl)ammonium CAS Name: (1-oxo-2-sulfoethyl)-bis(phenylmethyl)-(1-propyl-4-pyrazolyl)ammonium IUPAC Name: dibenzyl-(1-propylpyrazol-4-yl)-(2-sulfoacetyl)azanium Traditional Name: dibenzyl-(1-propylpyrazol-4-yl)-(2-sulfoacetyl)ammonium Formula: C22H26N3O4S+ MolecularWeight: 428.52454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C=C(C=N1)[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)CS(=O)(=O)O

Isomeric SMILES

CCCN1C=C(C=N1)[N+](CC2=CC=CC=C2)(CC3=CC=CC=C3)C(=O)CS(=O)(=O)O

InChI

InChI=1S/C22H25N3O4S/c1-2-13-24-15-21(14-23-24)25(22(26)18-30(27,28)29,16-19-9-5-3-6-10-19)17-20-11-7-4-8-12-20/h3-12,14-15H,2,13,16-18H2,1H3/p+1