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

Systemtic Name: [(5S)-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-yl-azanium Openeye Name: [(5S)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-isopropyl-ammonium CAS Name: [(5S)-3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-ylammonium IUPAC Name: [(5S)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-propan-2-ylazanium Traditional Name: [(5S)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-isopropyl-ammonium Formula: C21H29N4O+ MolecularWeight: 353.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O/c1-14(2)22-17-8-9-19-18(12-17)20(23-24(19)3)21(26)25-11-10-15-6-4-5-7-16(15)13-25/h4-7,14,17,22H,8-13H2,1-3H3/p+1/t17-/m0/s1