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

Systemtic Name: N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(5-methyl-1H-pyrazol-3-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(5-methyl-1H-pyrazol-3-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:

CC1=CC(=NN1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CC(=NN1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

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