N-(3-propan-2-yloxypropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazole-4-carboxamide

Systemtic Name: N-(3-propan-2-yloxypropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazole-4-carboxamide Openeye Name: N-(3-isopropoxypropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxazole-4-carboxamide CAS Name: N-(3-propan-2-yloxypropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-oxazolecarboxamide IUPAC Name: N-(3-propan-2-yloxypropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-oxazole-4-carboxamide Traditional Name: N-(3-isopropoxypropyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)oxazole-4-carboxamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=COC(=N1)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC(C)OCCCNC(=O)C1=COC(=N1)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C20H27N3O3/c1-15(2)25-11-5-9-21-20(24)18-14-26-19(22-18)13-23-10-8-16-6-3-4-7-17(16)12-23/h3-4,6-7,14-15H,5,8-13H2,1-2H3,(H,21,24)/p+1