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

Systemtic Name: 3-phenylpropyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: 3-phenylpropyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: 3-phenylpropyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: 3-phenylpropyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: 3-phenylpropyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C21H25N4+ MolecularWeight: 333.45

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CCCC4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](C2=C(C1)N(N=C2)C3=CC=CC=N3)[NH2+]CCCC4=CC=CC=C4

InChI

InChI=1S/C21H24N4/c1-2-8-17(9-3-1)10-7-15-22-19-11-6-12-20-18(19)16-24-25(20)21-13-4-5-14-23-21/h1-5,8-9,13-14,16,19,22H,6-7,10-12,15H2/p+1/t19-/m0/s1