N-[(1-methylpyrazol-4-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(1-methylpyrazol-4-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(1-methylpyrazol-4-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[(1-methyl-4-pyrazolyl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(1-methylpyrazol-4-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(1-methylpyrazol-4-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide Formula: C19H22N5O2+ MolecularWeight: 352.41028

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C=C(C=N1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C19H21N5O2/c1-23-11-14(10-21-23)9-20-19(25)18-8-17(26-22-18)13-24-7-6-15-4-2-3-5-16(15)12-24/h2-5,8,10-11H,6-7,9,12-13H2,1H3,(H,20,25)/p+1