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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)C1CCC2=C(C1)C(=NN2C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CCCC[NH+](C)[C@H]1CCC2=C(C1)C(=NN2C)C(=O)NCCC3=CC=CC=C3

InChI

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