cyclohexyl-methyl-[[2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]methyl]azanium

Systemtic Name: cyclohexyl-methyl-[[2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]methyl]azanium Openeye Name: cyclohexyl-methyl-[[2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]methyl]ammonium CAS Name: cyclohexyl-methyl-[[2-[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]phenyl]methyl]ammonium IUPAC Name: cyclohexyl-methyl-[[2-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]methyl]azanium Traditional Name: cyclohexyl-methyl-[2-[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]benzyl]ammonium Formula: C26H31N4O+ MolecularWeight: 415.55054

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC1=CC=CC=C1NC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3)C4CCCCC4

Isomeric SMILES

C[NH+](CC1=CC=CC=C1NC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3)C4CCCCC4

InChI

InChI=1S/C26H30N4O/c1-29(23-11-4-2-5-12-23)20-22-10-8-9-15-25(22)28-26(31)17-16-21-18-27-30(19-21)24-13-6-3-7-14-24/h3,6-10,13-19,23H,2,4-5,11-12,20H2,1H3,(H,28,31)/p+1/b17-16+