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

Systemtic Name: cyclopropyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclopropyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclopropyl-[(5R)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclopropyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclopropyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]C3CC3)C(=N1)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]C3CC3)C(=N1)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C20H26N4O/c1-24-18-10-9-16(22-15-7-8-15)13-17(18)19(23-24)20(25)21-12-11-14-5-3-2-4-6-14/h2-6,15-16,22H,7-13H2,1H3,(H,21,25)/p+1/t16-/m1/s1