methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-nitrothiophen-2-yl)methyl]azanium

Systemtic Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-nitrothiophen-2-yl)methyl]azanium Openeye Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-nitro-2-thienyl)methyl]ammonium CAS Name: methyl-(1-methyl-4-piperidin-1-iumyl)-[(5-nitro-2-thiophenyl)methyl]ammonium IUPAC Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-nitrothiophen-2-yl)methyl]azanium Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-nitro-2-thienyl)methyl]ammonium Formula: C12H21N3O2S+2 MolecularWeight: 271.37904

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=C(S2)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCC(CC1)[NH+](C)CC2=CC=C(S2)[N+](=O)[O-]

InChI

InChI=1S/C12H19N3O2S/c1-13-7-5-10(6-8-13)14(2)9-11-3-4-12(18-11)15(16)17/h3-4,10H,5-9H2,1-2H3/p+2