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

Systemtic Name: cycloheptyl-[(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]-cycloheptyl-ammonium CAS Name: cycloheptyl-[(5S)-3-[dimethylamino(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cycloheptyl-[(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]-cycloheptyl-ammonium Formula: C20H33N4O+ MolecularWeight: 345.50222

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1=NN(C2=C1CC(CC2)[NH2+]C3CCCCCC3)CC=C

Isomeric SMILES

CN(C)C(=O)C1=NN(C2=C1C[C@H](CC2)[NH2+]C3CCCCCC3)CC=C

InChI

InChI=1S/C20H32N4O/c1-4-13-24-18-12-11-16(21-15-9-7-5-6-8-10-15)14-17(18)19(22-24)20(25)23(2)3/h4,15-16,21H,1,5-14H2,2-3H3/p+1/t16-/m0/s1