1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-1-ium

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-1-ium Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-nitro-2-thienyl)methyl]piperazin-1-ium CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-nitro-2-thiophenyl)methyl]piperazin-1-ium IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-1-ium Traditional Name: 1-[(5-nitro-2-thienyl)methyl]-4-piperonyl-piperazin-4-ium Formula: C17H20N3O4S+ MolecularWeight: 362.4234

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCO3)CC4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c21-20(22)17-4-2-14(25-17)11-19-7-5-18(6-8-19)10-13-1-3-15-16(9-13)24-12-23-15/h1-4,9H,5-8,10-12H2/p+1