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

Systemtic Name: N-[(3-methylpyridin-4-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(3-methyl-4-pyridyl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[(3-methyl-4-pyridinyl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(3-methylpyridin-4-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(3-methyl-4-pyridyl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide Formula: C21H23N4O2+ MolecularWeight: 363.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=C(C=CN=C1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H22N4O2/c1-15-11-22-8-6-17(15)12-23-21(26)20-10-19(27-24-20)14-25-9-7-16-4-2-3-5-18(16)13-25/h2-6,8,10-11H,7,9,12-14H2,1H3,(H,23,26)/p+1