methanesulfonic acid; 1-(3-thiophen-2-ylpropyl)isoquinoline

Systemtic Name: methanesulfonic acid; 1-(3-thiophen-2-ylpropyl)isoquinoline Openeye Name: methanesulfonic acid; 1-[3-(2-thienyl)propyl]isoquinoline CAS Name: methanesulfonic acid; 1-(3-thiophen-2-ylpropyl)isoquinoline IUPAC Name: methanesulfonic acid; 1-(3-thiophen-2-ylpropyl)isoquinoline Traditional Name: mesylic acid; 1-[3-(2-thienyl)propyl]isoquinoline Formula: C17H19NO3S2 MolecularWeight: 349.46766

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)O.C1=CC=C2C(=C1)C=CN=C2CCCC3=CC=CS3

Isomeric SMILES

CS(=O)(=O)O.C1=CC=C2C(=C1)C=CN=C2CCCC3=CC=CS3

InChI

InChI=1S/C16H15NS.CH4O3S/c1-2-8-15-13(5-1)10-11-17-16(15)9-3-6-14-7-4-12-18-14;1-5(2,3)4/h1-2,4-5,7-8,10-12H,3,6,9H2;1H3,(H,2,3,4)