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

Systemtic Name: [(5R)-3-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enyl-azanium Openeye Name: allyl-[(5R)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium CAS Name: [(5R)-3-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enylammonium IUPAC Name: [(5R)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]-prop-2-enylazanium Traditional Name: allyl-[(5R)-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1-methyl-4,5,6,7-tetrahydroindazol-5-yl]ammonium Formula: C21H27N4O+ MolecularWeight: 351.46528

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(CC(CC2)[NH2+]CC=C)C(=N1)C(=O)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CN1C2=C(C[C@@H](CC2)[NH2+]CC=C)C(=N1)C(=O)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H26N4O/c1-3-11-22-17-8-9-19-18(13-17)20(23-24(19)2)21(26)25-12-10-15-6-4-5-7-16(15)14-25/h3-7,17,22H,1,8-14H2,2H3/p+1/t17-/m1/s1