(4-methylphenyl)methyl-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium

Systemtic Name: (4-methylphenyl)methyl-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Openeye Name: p-tolylmethyl-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium CAS Name: (4-methylphenyl)methyl-[[1-(2-thiazolyl)-2-pyrrolyl]methyl]ammonium IUPAC Name: (4-methylphenyl)methyl-[[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methyl]azanium Traditional Name: (4-methylbenzyl)-[(1-thiazol-2-ylpyrrol-2-yl)methyl]ammonium Formula: C16H18N3S+ MolecularWeight: 284.39922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH2+]CC2=CC=CN2C3=NC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)C[NH2+]CC2=CC=CN2C3=NC=CS3

InChI

InChI=1S/C16H17N3S/c1-13-4-6-14(7-5-13)11-17-12-15-3-2-9-19(15)16-18-8-10-20-16/h2-10,17H,11-12H2,1H3/p+1