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

Systemtic Name: cyclopropylmethyl-[(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: cyclopropylmethyl-[(5R)-1-methyl-3-(2-thienylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: cyclopropylmethyl-[(5R)-1-methyl-3-[oxo-(thiophen-2-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: cyclopropylmethyl-[(5R)-1-methyl-3-(thiophen-2-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: cyclopropylmethyl-[(5R)-1-methyl-3-(2-thenylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C18H25N4OS+ MolecularWeight: 345.4823

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC3CC3)C(=N1)C(=O)NCC4=CC=CS4

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC3CC3)C(=N1)C(=O)NCC4=CC=CS4

InChI

InChI=1S/C18H24N4OS/c1-22-16-7-6-13(19-10-12-4-5-12)9-15(16)17(21-22)18(23)20-11-14-3-2-8-24-14/h2-3,8,12-13,19H,4-7,9-11H2,1H3,(H,20,23)/p+1/t13-/m1/s1