methyl-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-(thiophen-3-ylmethyl)azanium

Systemtic Name: methyl-[2-oxidanylidene-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-(thiophen-3-ylmethyl)azanium Openeye Name: methyl-[2-oxo-2-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethyl]-(3-thienylmethyl)ammonium CAS Name: methyl-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethyl]-(3-thiophenylmethyl)ammonium IUPAC Name: methyl-[2-oxo-2-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethyl]-(thiophen-3-ylmethyl)azanium Traditional Name: [2-keto-2-[4-[(E)-styryl]sulfonylpiperazino]ethyl]-methyl-(3-thenyl)ammonium Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CSC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C[NH+](CC1=CSC=C1)CC(=O)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-21(15-19-7-13-27-17-19)16-20(24)22-9-11-23(12-10-22)28(25,26)14-8-18-5-3-2-4-6-18/h2-8,13-14,17H,9-12,15-16H2,1H3/p+1/b14-8+