cycloheptyl-[(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: cycloheptyl-[(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cycloheptyl-[(5R)-1-methyl-3-(2-thienylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cycloheptyl-[(5R)-1-methyl-3-[oxo-(thiophen-2-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cycloheptyl-[(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cycloheptyl-[(5R)-1-methyl-3-(2-thenylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H31N4OS+ MolecularWeight: 387.56204

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]C3CCCCCC3)C(=N1)C(=O)NCC4=CC=CS4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]C3CCCCCC3)C(=N1)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C21H30N4OS/c1-25-19-11-10-16(23-15-7-4-2-3-5-8-15)13-18(19)20(24-25)21(26)22-14-17-9-6-12-27-17/h6,9,12,15-16,23H,2-5,7-8,10-11,13-14H2,1H3,(H,22,26)/p+1/t16-/m1/s1