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

Systemtic Name: 3-methylbutyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: isopentyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 3-methylbutyl-[(5S)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 3-methylbutyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: isoamyl-[(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:

CC(C)CC[NH2+]C1CCC2=C(C1)C(=NN2C)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CC[NH2+][C@H]1CCC2=C(C1)C(=NN2C)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C22H32N4O/c1-16(2)11-13-23-18-9-10-20-19(15-18)21(25-26(20)3)22(27)24-14-12-17-7-5-4-6-8-17/h4-8,16,18,23H,9-15H2,1-3H3,(H,24,27)/p+1/t18-/m0/s1