[(5S)-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-ethyl-azanium

Systemtic Name: [(5S)-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-ethyl-azanium Openeye Name: [(5S)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-ethyl-ammonium CAS Name: [(5S)-3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-ethylammonium IUPAC Name: [(5S)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-ethylazanium Traditional Name: [(5S)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-ethyl-ammonium Formula: C20H27N4O+ MolecularWeight: 339.45458

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH2+]C1CCC2=C(C1)C(=NN2C)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CC[NH2+][C@H]1CCC2=C(C1)C(=NN2C)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C20H26N4O/c1-3-21-16-8-9-18-17(12-16)19(22-23(18)2)20(25)24-11-10-14-6-4-5-7-15(14)13-24/h4-7,16,21H,3,8-13H2,1-2H3/p+1/t16-/m0/s1