2-hydroxyethyl-(phenylmethyl)-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: 2-hydroxyethyl-(phenylmethyl)-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: benzyl-(2-hydroxyethyl)-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: 2-hydroxyethyl-(phenylmethyl)-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: benzyl-(2-hydroxyethyl)-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: benzyl-(2-hydroxyethyl)-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium Formula: C17H20N3OS+ MolecularWeight: 314.4252

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[NH+](CCO)CC2=CC=CN2C3=NC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C[NH+](CCO)CC2=CC=CN2C3=NC=CS3

InChI

InChI=1S/C17H19N3OS/c21-11-10-19(13-15-5-2-1-3-6-15)14-16-7-4-9-20(16)17-18-8-12-22-17/h1-9,12,21H,10-11,13-14H2/p+1