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

Systemtic Name: (2-prop-2-enoxyphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Openeye Name: (2-allyloxyphenyl)methyl-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium CAS Name: (2-prop-2-enoxyphenyl)methyl-[(4S)-1-(2-pyridinyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium IUPAC Name: (2-prop-2-enoxyphenyl)methyl-[(4S)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-yl]azanium Traditional Name: (2-allyloxybenzyl)-[(4S)-1-(2-pyridyl)-4,5,6,7-tetrahydroindazol-4-yl]ammonium Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C[NH2+]C2CCCC3=C2C=NN3C4=CC=CC=N4

Isomeric SMILES

C=CCOC1=CC=CC=C1C[NH2+][C@H]2CCCC3=C2C=NN3C4=CC=CC=N4

InChI

InChI=1S/C22H24N4O/c1-2-14-27-21-11-4-3-8-17(21)15-24-19-9-7-10-20-18(19)16-25-26(20)22-12-5-6-13-23-22/h2-6,8,11-13,16,19,24H,1,7,9-10,14-15H2/p+1/t19-/m0/s1