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

Systemtic Name: 1,4-dithiepan-6-yl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: 1,4-dithiepan-6-yl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: 1,4-dithiepan-6-yl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: 1,4-dithiepan-6-yl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: 1,4-dithiepan-6-yl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C17H23N4S2+ MolecularWeight: 347.52132

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]C4CSCCSC4

Isomeric SMILES

C1C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]C4CSCCSC4

InChI

InChI=1S/C17H22N4S2/c1-2-7-18-17(6-1)21-16-5-3-4-15(14(16)10-19-21)20-13-11-22-8-9-23-12-13/h1-2,6-7,10,13,15,20H,3-5,8-9,11-12H2/p+1/t15-/m0/s1