cyclooctyl-[(5S)-3-(dimethylcarbamoyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cyclooctyl-[(5S)-3-(dimethylcarbamoyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(dimethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclooctyl-ammonium CAS Name: cyclooctyl-[(5S)-3-[dimethylamino(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclooctyl-[(5S)-3-(dimethylcarbamoyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(dimethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-cyclooctyl-ammonium Formula: C21H35N4O+ MolecularWeight: 359.5288

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NN(C2=C1CC(CC2)[NH2+]C3CCCCCCC3)CC=C

Isomeric SMILES

CN(C)C(=O)C1=NN(C2=C1C[C@H](CC2)[NH2+]C3CCCCCCC3)CC=C

InChI

InChI=1S/C21H34N4O/c1-4-14-25-19-13-12-17(22-16-10-8-6-5-7-9-11-16)15-18(19)20(23-25)21(26)24(2)3/h4,16-17,22H,1,5-15H2,2-3H3/p+1/t17-/m0/s1