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

Systemtic Name: 1-adamantylmethyl-methyl-[(5S)-3-morpholin-4-ylcarbonyl-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Openeye Name: 1-adamantylmethyl-[(5S)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium CAS Name: 1-adamantylmethyl-methyl-[(5S)-3-[4-morpholinyl(oxo)methyl]-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium IUPAC Name: 1-adamantylmethyl-methyl-[(5S)-3-(morpholine-4-carbonyl)-1-prop-2-enyl-4,5,6,7-tetrahydroindazol-5-yl]azanium Traditional Name: 1-adamantylmethyl-[(5S)-1-allyl-3-(morpholine-4-carbonyl)-4,5,6,7-tetrahydroindazol-5-yl]-methyl-ammonium Formula: C27H41N4O2+ MolecularWeight: 453.64004

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC12CC3CC(C1)CC(C3)C2)C4CCC5=C(C4)C(=NN5CC=C)C(=O)N6CCOCC6

Isomeric SMILES

C[NH+](CC12CC3CC(C1)CC(C3)C2)[C@H]4CCC5=C(C4)C(=NN5CC=C)C(=O)N6CCOCC6

InChI

InChI=1S/C27H40N4O2/c1-3-6-31-24-5-4-22(14-23(24)25(28-31)26(32)30-7-9-33-10-8-30)29(2)18-27-15-19-11-20(16-27)13-21(12-19)17-27/h3,19-22H,1,4-18H2,2H3/p+1/t19?,20?,21?,22-,27?/m0/s1