N,1-dimethyl-N-[(5-nitrothiophen-2-yl)methyl]piperidin-1-ium-4-amine

Systemtic Name: N,1-dimethyl-N-[(5-nitrothiophen-2-yl)methyl]piperidin-1-ium-4-amine Openeye Name: N,1-dimethyl-N-[(5-nitro-2-thienyl)methyl]piperidin-1-ium-4-amine CAS Name: N,1-dimethyl-N-[(5-nitro-2-thiophenyl)methyl]-4-piperidin-1-iumamine IUPAC Name: N,1-dimethyl-N-[(5-nitrothiophen-2-yl)methyl]piperidin-1-ium-4-amine Traditional Name: methyl-(1-methylpiperidin-1-ium-4-yl)-[(5-nitro-2-thienyl)methyl]amine Formula: C12H20N3O2S+ MolecularWeight: 270.3711

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[NH+]1CCC(CC1)N(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+1