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

Systemtic Name: 2-methoxyethyl-methyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 2-methoxyethyl-methyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: 2-methoxyethyl-methyl-[(5S)-1-methyl-3-[oxo-(phenethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-methoxyethyl-methyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 2-methoxyethyl-methyl-[(5S)-1-methyl-3-(phenethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H31N4O2+ MolecularWeight: 371.49644

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH+](C)CCOC)C(=N1)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C[C@H](CC2)[NH+](C)CCOC)C(=N1)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H30N4O2/c1-24(13-14-27-3)17-9-10-19-18(15-17)20(23-25(19)2)21(26)22-12-11-16-7-5-4-6-8-16/h4-8,17H,9-15H2,1-3H3,(H,22,26)/p+1/t17-/m0/s1