(E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide

Systemtic Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Openeye Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[4-(4-ethyl-1-piperazin-4-iumyl)-3-methylphenyl]-3-(1-methyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methylphenyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide Traditional Name: (E)-N-[4-(4-ethylpiperazin-4-ium-1-yl)-3-methyl-phenyl]-3-(1-methylpyrazol-4-yl)acrylamide Formula: C20H28N5O+ MolecularWeight: 354.46922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N5O/c1-4-24-9-11-25(12-10-24)19-7-6-18(13-16(19)2)22-20(26)8-5-17-14-21-23(3)15-17/h5-8,13-15H,4,9-12H2,1-3H3,(H,22,26)/p+1/b8-5+