N-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide

Systemtic Name: N-[2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-4-phenoxy-benzamide Openeye Name: N-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-4-phenoxy-benzamide CAS Name: N-[2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl]-4-phenoxybenzamide IUPAC Name: N-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-4-phenoxybenzamide Traditional Name: N-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-4-phenoxy-benzamide Formula: C27H31N4O3+ MolecularWeight: 459.56004

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O3/c1-2-30-16-18-31(19-17-30)23-12-10-22(11-13-23)29-26(32)20-28-27(33)21-8-14-25(15-9-21)34-24-6-4-3-5-7-24/h3-15H,2,16-20H2,1H3,(H,28,33)(H,29,32)/p+1