isoquinolin-5-ylmethyl-methyl-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]azanium

Systemtic Name: isoquinolin-5-ylmethyl-methyl-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]azanium Openeye Name: 5-isoquinolylmethyl-methyl-[[5-methyl-2-(5-methyl-2-thienyl)oxazol-4-yl]methyl]ammonium CAS Name: 5-isoquinolinylmethyl-methyl-[[5-methyl-2-(5-methyl-2-thiophenyl)-4-oxazolyl]methyl]ammonium IUPAC Name: isoquinolin-5-ylmethyl-methyl-[[5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazol-4-yl]methyl]azanium Traditional Name: 5-isoquinolylmethyl-methyl-[[5-methyl-2-(5-methyl-2-thienyl)oxazol-4-yl]methyl]ammonium Formula: C21H22N3OS+ MolecularWeight: 364.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C2=NC(=C(O2)C)C[NH+](C)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

CC1=CC=C(S1)C2=NC(=C(O2)C)C[NH+](C)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C21H21N3OS/c1-14-7-8-20(26-14)21-23-19(15(2)25-21)13-24(3)12-17-6-4-5-16-11-22-10-9-18(16)17/h4-11H,12-13H2,1-3H3/p+1