methyl-(phenylmethyl)-[3-[2-(2-phenyl-1,3-thiazol-4-yl)ethanoylamino]propyl]azanium

Systemtic Name: methyl-(phenylmethyl)-[3-[2-(2-phenyl-1,3-thiazol-4-yl)ethanoylamino]propyl]azanium Openeye Name: benzyl-methyl-[3-[[2-(2-phenylthiazol-4-yl)acetyl]amino]propyl]ammonium CAS Name: methyl-[3-[[1-oxo-2-(2-phenyl-4-thiazolyl)ethyl]amino]propyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-methyl-[3-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]propyl]azanium Traditional Name: benzyl-methyl-[3-[[2-(2-phenylthiazol-4-yl)acetyl]amino]propyl]ammonium Formula: C22H26N3OS+ MolecularWeight: 380.52634

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCCNC(=O)CC1=CSC(=N1)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CCCNC(=O)CC1=CSC(=N1)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C22H25N3OS/c1-25(16-18-9-4-2-5-10-18)14-8-13-23-21(26)15-20-17-27-22(24-20)19-11-6-3-7-12-19/h2-7,9-12,17H,8,13-16H2,1H3,(H,23,26)/p+1