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

Systemtic Name: [2-[[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-[4-(4-ethyl-1-piperazin-4-iumyl)anilino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-oxoethyl]-methylazanium Traditional Name: benzyl-[2-[4-(4-ethylpiperazin-4-ium-1-yl)anilino]-2-keto-ethyl]-methyl-ammonium Formula: C22H32N4O+2 MolecularWeight: 368.51568

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H30N4O/c1-3-25-13-15-26(16-14-25)21-11-9-20(10-12-21)23-22(27)18-24(2)17-19-7-5-4-6-8-19/h4-12H,3,13-18H2,1-2H3,(H,23,27)/p+2