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

Systemtic Name: 2-(3-methoxyphenyl)ethyl-[(5S)-3-morpholin-4-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: [(5S)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[2-(3-methoxyphenyl)ethyl]ammonium CAS Name: 2-(3-methoxyphenyl)ethyl-[(5S)-3-[4-morpholinyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 2-(3-methoxyphenyl)ethyl-[(5S)-3-(morpholine-4-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: [(5S)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-[2-(3-methoxyphenyl)ethyl]ammonium Formula: C24H33N4O3+ MolecularWeight: 425.54382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CC[NH2+]C2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCOCC4

Isomeric SMILES

COC1=CC=CC(=C1)CC[NH2+][C@H]2CCC3=C(C2)C(=NN3CC=C)C(=O)N4CCOCC4

InChI

InChI=1S/C24H32N4O3/c1-3-11-28-22-8-7-19(25-10-9-18-5-4-6-20(16-18)30-2)17-21(22)23(26-28)24(29)27-12-14-31-15-13-27/h3-6,16,19,25H,1,7-15,17H2,2H3/p+1/t19-/m0/s1