(4-fluorophenyl)methyl-[(5S)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium

Systemtic Name: (4-fluorophenyl)methyl-[(5S)-3-piperidin-1-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(4-fluorophenyl)methyl]ammonium CAS Name: (4-fluorophenyl)methyl-[(5S)-3-[oxo(1-piperidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (4-fluorophenyl)methyl-[(5S)-3-(piperidine-1-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(piperidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(4-fluorobenzyl)ammonium Formula: C23H30FN4O+ MolecularWeight: 397.508903

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CC3=CC=C(C=C3)F)C(=N1)C(=O)N4CCCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@H](CC2)[NH2+]CC3=CC=C(C=C3)F)C(=N1)C(=O)N4CCCCC4

InChI

InChI=1S/C23H29FN4O/c1-2-12-28-21-11-10-19(25-16-17-6-8-18(24)9-7-17)15-20(21)22(26-28)23(29)27-13-4-3-5-14-27/h2,6-9,19,25H,1,3-5,10-16H2/p+1/t19-/m0/s1