2-[(5-nitrothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(5-nitrothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[(5-nitro-2-thienyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[(5-nitro-2-thiophenyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(5-nitrothiophen-2-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(5-nitro-2-thienyl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C14H15N2O2S+ MolecularWeight: 275.3461

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O2S/c17-16(18)14-6-5-13(19-14)10-15-8-7-11-3-1-2-4-12(11)9-15/h1-6H,7-10H2/p+1