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

Systemtic Name: cyclopropylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclopropylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclopropylmethyl-[(5R)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclopropylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclopropylmethyl-[(5R)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3CC3)C(=N1)C(=O)NCCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3CC3)C(=N1)C(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C21H28N4O/c1-25-19-10-9-17(23-14-16-7-8-16)13-18(19)20(24-25)21(26)22-12-11-15-5-3-2-4-6-15/h2-6,16-17,23H,7-14H2,1H3,(H,22,26)/p+1/t17-/m1/s1