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

Systemtic Name: dimethyl-[1-[[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]methyl]cycloheptyl]azanium Openeye Name: dimethyl-[1-[[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]methyl]cycloheptyl]ammonium CAS Name: dimethyl-[1-[[[(E)-1-oxo-3-(1-phenyl-4-pyrazolyl)prop-2-enyl]amino]methyl]cycloheptyl]ammonium IUPAC Name: dimethyl-[1-[[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]methyl]cycloheptyl]azanium Traditional Name: dimethyl-[1-[[[(E)-3-(1-phenylpyrazol-4-yl)acryloyl]amino]methyl]cycloheptyl]ammonium Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1(CCCCCC1)CNC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](C)C1(CCCCCC1)CNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H30N4O/c1-25(2)22(14-8-3-4-9-15-22)18-23-21(27)13-12-19-16-24-26(17-19)20-10-6-5-7-11-20/h5-7,10-13,16-17H,3-4,8-9,14-15,18H2,1-2H3,(H,23,27)/p+1/b13-12+