2-methoxy-N-[2-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide

Systemtic Name: 2-methoxy-N-[2-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Openeye Name: N-[2-(isoxazol-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-2-methoxy-benzamide CAS Name: N-[2-(3-isoxazolylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-2-methoxybenzamide IUPAC Name: 2-methoxy-N-[2-(1,2-oxazol-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]benzamide Traditional Name: N-[2-(isoxazol-3-ylmethyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-7-yl]-2-methoxy-benzamide Formula: C21H22N3O3+ MolecularWeight: 364.41768

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(=O)NC2=CC3=C(CC[NH+](C3)CC4=NOC=C4)C=C2

Isomeric SMILES

COC1=CC=CC=C1C(=O)NC2=CC3=C(CC[NH+](C3)CC4=NOC=C4)C=C2

InChI

InChI=1S/C21H21N3O3/c1-26-20-5-3-2-4-19(20)21(25)22-17-7-6-15-8-10-24(13-16(15)12-17)14-18-9-11-27-23-18/h2-7,9,11-12H,8,10,13-14H2,1H3,(H,22,25)/p+1