N-(3-imidazol-1-ylpropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-(3-imidazol-1-ylpropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-(3-imidazol-1-ylpropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[3-(1-imidazolyl)propyl]-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-(3-imidazol-1-ylpropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(3-imidazol-1-ylpropyl)-5-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)isoxazole-3-carboxamide Formula: C20H24N5O2+ MolecularWeight: 366.43686

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=NO3)C(=O)NCCCN4C=CN=C4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC(=NO3)C(=O)NCCCN4C=CN=C4

InChI

InChI=1S/C20H23N5O2/c26-20(22-7-3-9-24-11-8-21-15-24)19-12-18(27-23-19)14-25-10-6-16-4-1-2-5-17(16)13-25/h1-2,4-5,8,11-12,15H,3,6-7,9-10,13-14H2,(H,22,26)/p+1