[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium

Systemtic Name: [2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-2-ylmethyl)azanium Openeye Name: [2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-methyl-(2-thienylmethyl)ammonium CAS Name: [2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)ammonium IUPAC Name: [2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-methyl-(thiophen-2-ylmethyl)azanium Traditional Name: [2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-methyl-(2-thenyl)ammonium Formula: C20H30N4OS+2 MolecularWeight: 374.5434

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+](C)CC3=CC=CS3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+](C)CC3=CC=CS3

InChI

InChI=1S/C20H28N4OS/c1-3-23-10-12-24(13-11-23)18-8-6-17(7-9-18)21-20(25)16-22(2)15-19-5-4-14-26-19/h4-9,14H,3,10-13,15-16H2,1-2H3,(H,21,25)/p+2