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

Systemtic Name: [(5S)-3-(dimethylcarbamoyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-phenethyl-azanium Openeye Name: [(5S)-1-allyl-3-(dimethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-phenethyl-ammonium CAS Name: [(5S)-3-[dimethylamino(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-phenethylammonium IUPAC Name: [(5S)-3-(dimethylcarbamoyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-methyl-phenethylazanium Traditional Name: [(5S)-1-allyl-3-(dimethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-phenethyl-ammonium Formula: C22H31N4O+ MolecularWeight: 367.50774

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=C1)C2CCC3=C(C2)C(=NN3CC=C)C(=O)N(C)C

Isomeric SMILES

C[NH+](CCC1=CC=CC=C1)[C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N(C)C

InChI

InChI=1S/C22H30N4O/c1-5-14-26-20-12-11-18(16-19(20)21(23-26)22(27)24(2)3)25(4)15-13-17-9-7-6-8-10-17/h5-10,18H,1,11-16H2,2-4H3/p+1/t18-/m0/s1