[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-yl-azanium

Systemtic Name: [(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-yl-azanium Openeye Name: isopropyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: [(5S)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-ylammonium IUPAC Name: [(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-ylazanium Traditional Name: isopropyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C20H29N4O+ MolecularWeight: 341.47046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N4O/c1-14(2)22-16-9-10-18-17(13-16)19(23-24(18)3)20(25)21-12-11-15-7-5-4-6-8-15/h4-8,14,16,22H,9-13H2,1-3H3,(H,21,25)/p+1/t16-/m0/s1