[(5R)-3-morpholin-4-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)azanium

Systemtic Name: [(5R)-3-morpholin-4-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)azanium Openeye Name: [(5R)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-benzyl-ammonium CAS Name: [(5R)-3-[4-morpholinyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]-(phenylmethyl)ammonium IUPAC Name: benzyl-[(5R)-3-(morpholine-4-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5R)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-benzyl-ammonium Formula: C22H29N4O2+ MolecularWeight: 381.49126

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C2=C(CC(CC2)[NH2+]CC3=CC=CC=C3)C(=N1)C(=O)N4CCOCC4

Isomeric SMILES

C=CCN1C2=C(C[C@@H](CC2)[NH2+]CC3=CC=CC=C3)C(=N1)C(=O)N4CCOCC4

InChI

InChI=1S/C22H28N4O2/c1-2-10-26-20-9-8-18(23-16-17-6-4-3-5-7-17)15-19(20)21(24-26)22(27)25-11-13-28-14-12-25/h2-7,18,23H,1,8-16H2/p+1/t18-/m1/s1