diethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: diethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: diethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: diethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: diethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: diethyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C1CCC2=C(C1)C(=NN2CCC3=CC=CC=C3)C(=O)NC

Isomeric SMILES

CC[NH+](CC)[C@H]1CCC2=C(C1)C(=NN2CCC3=CC=CC=C3)C(=O)NC

InChI

InChI=1S/C21H30N4O/c1-4-24(5-2)17-11-12-19-18(15-17)20(21(26)22-3)23-25(19)14-13-16-9-7-6-8-10-16/h6-10,17H,4-5,11-15H2,1-3H3,(H,22,26)/p+1/t17-/m0/s1