[5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]azanium

Systemtic Name: [5-(2-adamantylmethylcarbamoyl)-6-oxidanylidene-1H-pyridin-2-yl]methyl-methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]azanium Openeye Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]ammonium CAS Name: [5-[(2-adamantylmethylamino)-oxomethyl]-6-oxo-1H-pyridin-2-yl]methyl-methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]ammonium IUPAC Name: [5-(2-adamantylmethylcarbamoyl)-6-oxo-1H-pyridin-2-yl]methyl-methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]azanium Traditional Name: [5-(2-adamantylmethylcarbamoyl)-6-keto-1H-pyridin-2-yl]methyl-methyl-[(1S)-1-(3-phenyl-1H-pyrazol-5-yl)ethyl]ammonium Formula: C30H38N5O2+ MolecularWeight: 500.65502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=NN1)C2=CC=CC=C2)[NH+](C)CC3=CC=C(C(=O)N3)C(=O)NCC4C5CC6CC(C5)CC4C6

Isomeric SMILES

C[C@@H](C1=CC(=NN1)C2=CC=CC=C2)[NH+](C)CC3=CC=C(C(=O)N3)C(=O)NCC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C30H37N5O2/c1-18(27-15-28(34-33-27)21-6-4-3-5-7-21)35(2)17-24-8-9-25(30(37)32-24)29(36)31-16-26-22-11-19-10-20(13-22)14-23(26)12-19/h3-9,15,18-20,22-23,26H,10-14,16-17H2,1-2H3,(H,31,36)(H,32,37)(H,33,34)/p+1/t18-,19?,20?,22?,23?,26?/m0/s1