1-(2-ethoxyphenyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-4-ium

Systemtic Name: 1-(2-ethoxyphenyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-4-ium Openeye Name: 1-(2-ethoxyphenyl)-4-[(5-nitro-2-thienyl)methyl]piperazin-4-ium CAS Name: 1-(2-ethoxyphenyl)-4-[(5-nitro-2-thiophenyl)methyl]piperazin-4-ium IUPAC Name: 1-(2-ethoxyphenyl)-4-[(5-nitrothiophen-2-yl)methyl]piperazin-4-ium Traditional Name: 1-[(5-nitro-2-thienyl)methyl]-4-o-phenetyl-piperazin-1-ium Formula: C17H22N3O3S+ MolecularWeight: 348.43988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O3S/c1-2-23-16-6-4-3-5-15(16)19-11-9-18(10-12-19)13-14-7-8-17(24-14)20(21)22/h3-8H,2,9-13H2,1H3/p+1