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

Systemtic Name: N-methyl-N-[(3-methylpyridin-4-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-methyl-N-[(3-methyl-4-pyridyl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-methyl-N-[(3-methylpyridin-4-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-methyl-N-[(3-methyl-4-pyridyl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide Formula: C22H25N4O2+ MolecularWeight: 377.4595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N4O2/c1-16-12-23-9-7-18(16)13-25(2)22(27)21-11-20(28-24-21)15-26-10-8-17-5-3-4-6-19(17)14-26/h3-7,9,11-12H,8,10,13-15H2,1-2H3/p+1