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

Systemtic Name: (3-fluorophenyl)methyl-[(5S)-1-prop-2-enyl-3-pyrrolidin-1-ylcarbonyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[(3-fluorophenyl)methyl]ammonium CAS Name: (3-fluorophenyl)methyl-[(5S)-3-[oxo(1-pyrrolidinyl)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: (3-fluorophenyl)methyl-[(5S)-1-prop-2-enyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-(3-fluorobenzyl)ammonium Formula: C22H28FN4O+ MolecularWeight: 383.482323

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CC3=CC(=CC=C3)F)C(=N1)C(=O)N4CCCC4

Isomeric SMILES

C=CCN1C2=C(C[C@H](CC2)[NH2+]CC3=CC(=CC=C3)F)C(=N1)C(=O)N4CCCC4

InChI

InChI=1S/C22H27FN4O/c1-2-10-27-20-9-8-18(24-15-16-6-5-7-17(23)13-16)14-19(20)21(25-27)22(28)26-11-3-4-12-26/h2,5-7,13,18,24H,1,3-4,8-12,14-15H2/p+1/t18-/m0/s1