[5-(2-methylphenyl)isoquinolin-8-yl]methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [5-(2-methylphenyl)isoquinolin-8-yl]methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [5-(o-tolyl)-8-isoquinolyl]methyl-(3-thienylmethyl)ammonium CAS Name: [5-(2-methylphenyl)-8-isoquinolinyl]methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [5-(2-methylphenyl)isoquinolin-8-yl]methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [5-(o-tolyl)-8-isoquinolyl]methyl-(3-thenyl)ammonium Formula: C22H21N2S+ MolecularWeight: 345.48054

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C3C=CN=CC3=C(C=C2)C[NH2+]CC4=CSC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=C3C=CN=CC3=C(C=C2)C[NH2+]CC4=CSC=C4

InChI

InChI=1S/C22H20N2S/c1-16-4-2-3-5-19(16)20-7-6-18(22-14-23-10-8-21(20)22)13-24-12-17-9-11-25-15-17/h2-11,14-15,24H,12-13H2,1H3/p+1