6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazol-2-one

Systemtic Name: 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazol-2-one Openeye Name: 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazol-2-one CAS Name: 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazol-2-one IUPAC Name: 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazol-2-one Traditional Name: 6-methoxy-3-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-1,3-benzoxazol-2-one Formula: C18H19N2O3+ MolecularWeight: 311.35506

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=O)O2)C[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=O)O2)C[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C18H18N2O3/c1-22-15-6-7-16-17(10-15)23-18(21)20(16)12-19-9-8-13-4-2-3-5-14(13)11-19/h2-7,10H,8-9,11-12H2,1H3/p+1