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

Systemtic Name: 2-dimethylaminoethyl-(phenylmethyl)-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: benzyl-(2-dimethylaminoethyl)-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: 2-dimethylaminoethyl-(phenylmethyl)-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: benzyl-(2-dimethylaminoethyl)-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: benzyl-(2-dimethylaminoethyl)-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium Formula: C19H25N4S+ MolecularWeight: 341.4936

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=CC=CN2C3=NC=CS3

Isomeric SMILES

CN(C)CC[NH+](CC1=CC=CC=C1)CC2=CC=CN2C3=NC=CS3

InChI

InChI=1S/C19H24N4S/c1-21(2)12-13-22(15-17-7-4-3-5-8-17)16-18-9-6-11-23(18)19-20-10-14-24-19/h3-11,14H,12-13,15-16H2,1-2H3/p+1