[(5R)-3-(dimethylcarbamoyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-azanium

Systemtic Name: [(5R)-3-(dimethylcarbamoyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-azanium Openeye Name: [(5R)-3-(dimethylcarbamoyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium CAS Name: [(5R)-3-[dimethylamino(oxo)methyl]-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethylammonium IUPAC Name: [(5R)-3-(dimethylcarbamoyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethylazanium Traditional Name: [(5R)-3-(dimethylcarbamoyl)-1-propyl-4,5,6,7-tetrahydroindazol-5-yl]-phenethyl-ammonium Formula: C21H31N4O+ MolecularWeight: 355.49704

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(CC(CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N(C)C

Isomeric SMILES

CCCN1C2=C(C[C@@H](CC2)[NH2+]CCC3=CC=CC=C3)C(=N1)C(=O)N(C)C

InChI

InChI=1S/C21H30N4O/c1-4-14-25-19-11-10-17(22-13-12-16-8-6-5-7-9-16)15-18(19)20(23-25)21(26)24(2)3/h5-9,17,22H,4,10-15H2,1-3H3/p+1/t17-/m1/s1