[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium

Systemtic Name: [2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(thiophen-3-ylmethyl)azanium Openeye Name: [2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-methyl-(3-thienylmethyl)ammonium CAS Name: [2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl]-methyl-(3-thiophenylmethyl)ammonium IUPAC Name: [2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium Traditional Name: [2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-methyl-(3-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=CSC=C3

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)C[NH+](C)CC3=CSC=C3

InChI

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