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

Systemtic Name: butyl-methyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: butyl-methyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: butyl-methyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: butyl-methyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: butyl-methyl-[(5S)-3-(methylcarbamoyl)-1-phenethyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C22H33N4O+ MolecularWeight: 369.52362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N4O/c1-4-5-14-25(3)18-11-12-20-19(16-18)21(22(27)23-2)24-26(20)15-13-17-9-7-6-8-10-17/h6-10,18H,4-5,11-16H2,1-3H3,(H,23,27)/p+1/t18-/m0/s1