6-[(4-chlorophenyl)methyl]-[1,3]dioxolo[4,5-h]isoquinolin-8-ium; methanesulfonate

Systemtic Name: 6-[(4-chlorophenyl)methyl]-[1,3]dioxolo[4,5-h]isoquinolin-8-ium; methanesulfonate Openeye Name: 6-[(4-chlorophenyl)methyl]-[1,3]dioxolo[4,5-h]isoquinolin-8-ium; methanesulfonate CAS Name: 6-[(4-chlorophenyl)methyl]-[1,3]dioxolo[4,5-h]isoquinolin-8-ium; methanesulfonate IUPAC Name: 6-[(4-chlorophenyl)methyl]-[1,3]dioxolo[4,5-h]isoquinolin-8-ium; methanesulfonate Traditional Name: 6-(4-chlorobenzyl)-[1,3]dioxol[4,5-h]isoquinolin-8-ium mesylate Formula: C18H16ClNO5S MolecularWeight: 393.84134

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].C1OC2=C(O1)C3=C[NH+]=CC(=C3C=C2)CC4=CC=C(C=C4)Cl

Isomeric SMILES

CS(=O)(=O)[O-].C1OC2=C(O1)C3=C[NH+]=CC(=C3C=C2)CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C17H12ClNO2.CH4O3S/c18-13-3-1-11(2-4-13)7-12-8-19-9-15-14(12)5-6-16-17(15)21-10-20-16;1-5(2,3)4/h1-6,8-9H,7,10H2;1H3,(H,2,3,4)