2-[(5-nitrothiophen-2-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium

Systemtic Name: 2-[(5-nitrothiophen-2-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Openeye Name: 2-[(5-nitro-2-thienyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium CAS Name: 2-[(5-nitro-2-thiophenyl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium IUPAC Name: 2-[(5-nitrothiophen-2-yl)methyl]-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium Traditional Name: 2-[(5-nitro-2-thienyl)methyl]-2,3,4,9-tetrahydro-1H-$b-carbolin-2-ium Formula: C16H16N3O2S+ MolecularWeight: 314.38214

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=C1C3=CC=CC=C3N2)CC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CC2=C1C3=CC=CC=C3N2)CC4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C16H15N3O2S/c20-19(21)16-6-5-11(22-16)9-18-8-7-13-12-3-1-2-4-14(12)17-15(13)10-18/h1-6,17H,7-10H2/p+1