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

Systemtic Name: N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(5-methyl-1H-imidazol-2-yl)methyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-[(5-methyl-1H-imidazol-2-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=CN=C(N1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC1=CN=C(N1)CNC(=O)C2=NOC(=C2)C[NH+]3CCC4=CC=CC=C4C3

InChI

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