1-benzothiophen-2-ylmethyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium

Systemtic Name: 1-benzothiophen-2-ylmethyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: benzothiophen-2-ylmethyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: 1-benzothiophen-2-ylmethyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: 1-benzothiophen-2-ylmethyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: benzothiophen-2-ylmethyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C21H21N4S+ MolecularWeight: 361.48324

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CC4=CC5=CC=CC=C5S4

InChI

InChI=1S/C21H20N4S/c1-2-9-20-15(6-1)12-16(26-20)13-23-18-7-5-8-19-17(18)14-24-25(19)21-10-3-4-11-22-21/h1-4,6,9-12,14,18,23H,5,7-8,13H2/p+1/t18-/m0/s1