1-benzothiophen-2-ylmethyl-[(5R)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[(5R)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-azanium Openeye Name: benzothiophen-2-ylmethyl-[(5R)-1-ethyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[(5R)-1-ethyl-3-[oxo-(pyridin-4-ylmethylamino)methyl]-4,5,6,7-tetrahydroindazol-5-yl]-methylammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[(5R)-1-ethyl-3-(pyridin-4-ylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methylazanium Traditional Name: benzothiophen-2-ylmethyl-[(5R)-1-ethyl-3-(4-pyridylmethylcarbamoyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium Formula: C26H30N5OS+ MolecularWeight: 460.6143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(CC(CC2)[NH+](C)CC3=CC4=CC=CC=C4S3)C(=N1)C(=O)NCC5=CC=NC=C5

Isomeric SMILES

CCN1C2=C(C[C@@H](CC2)[NH+](C)CC3=CC4=CC=CC=C4S3)C(=N1)C(=O)NCC5=CC=NC=C5

InChI

InChI=1S/C26H29N5OS/c1-3-31-23-9-8-20(30(2)17-21-14-19-6-4-5-7-24(19)33-21)15-22(23)25(29-31)26(32)28-16-18-10-12-27-13-11-18/h4-7,10-14,20H,3,8-9,15-17H2,1-2H3,(H,28,32)/p+1/t20-/m1/s1