[[4-[3-(4-cyclopropylcarbonylphenoxy)propyl]piperazin-1-yl]-oxidanidyl-(1-thiophen-2-ylpropan-2-yl)azaniumyl]methanoate

Systemtic Name: [[4-[3-(4-cyclopropylcarbonylphenoxy)propyl]piperazin-1-yl]-oxidanidyl-(1-thiophen-2-ylpropan-2-yl)azaniumyl]methanoate Openeye Name: [[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-[1-methyl-2-(2-thienyl)ethyl]-oxido-ammonio]formate CAS Name: [[4-[3-[4-[cyclopropyl(oxo)methyl]phenoxy]propyl]-1-piperazinyl]-oxido-(1-thiophen-2-ylpropan-2-yl)ammonio]formate IUPAC Name: [[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazin-1-yl]-oxido-(1-thiophen-2-ylpropan-2-yl)azaniumyl]formate Traditional Name: [[4-[3-[4-(cyclopropanecarbonyl)phenoxy]propyl]piperazino]-[1-methyl-2-(2-thienyl)ethyl]-oxido-ammonio]formate Formula: C25H32N3O5S- MolecularWeight: 486.60368

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CS1)[N+](C(=O)[O-])(N2CCN(CC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4)[O-]

Isomeric SMILES

CC(CC1=CC=CS1)[N+](C(=O)[O-])(N2CCN(CC2)CCCOC3=CC=C(C=C3)C(=O)C4CC4)[O-]

InChI

InChI=1S/C25H33N3O5S/c1-19(18-23-4-2-17-34-23)28(32,25(30)31)27-14-12-26(13-15-27)11-3-16-33-22-9-7-21(8-10-22)24(29)20-5-6-20/h2,4,7-10,17,19-20H,3,5-6,11-16,18H2,1H3,(H,30,31)/p-1