1-[(5-nitrothiophen-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium

Systemtic Name: 1-[(5-nitrothiophen-2-yl)methyl]-4-(phenylmethyl)piperidin-1-ium Openeye Name: 4-benzyl-1-[(5-nitro-2-thienyl)methyl]piperidin-1-ium CAS Name: 1-[(5-nitro-2-thiophenyl)methyl]-4-(phenylmethyl)piperidin-1-ium IUPAC Name: 4-benzyl-1-[(5-nitrothiophen-2-yl)methyl]piperidin-1-ium Traditional Name: 4-benzyl-1-[(5-nitro-2-thienyl)methyl]piperidin-1-ium Formula: C17H21N2O2S+ MolecularWeight: 317.42584

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H20N2O2S/c20-19(21)17-7-6-16(22-17)13-18-10-8-15(9-11-18)12-14-4-2-1-3-5-14/h1-7,15H,8-13H2/p+1