2-[4-(chloromethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-3,4-dihydro-1H-isoquinolin-2-ium

Systemtic Name: 2-[4-(chloromethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-3,4-dihydro-1H-isoquinolin-2-ium Openeye Name: 2-[4-(chloromethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-3,4-dihydro-1H-isoquinolin-2-ium CAS Name: 2-[4-(chloromethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-3,4-dihydro-1H-isoquinolin-2-ium IUPAC Name: 2-[4-(chloromethyl)-2,5-dimethyl-1H-pyrazol-3-ylidene]-3,4-dihydro-1H-isoquinolin-2-ium Traditional Name: 2-[4-(chloromethyl)-2,5-dimethyl-3-pyrazolin-3-ylidene]-3,4-dihydro-1H-isoquinolin-2-ium Formula: C15H19ClN3+ MolecularWeight: 276.78446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=[N+]2CCC3=CC=CC=C3C2)N(N1)C)CCl

Isomeric SMILES

CC1=C(C(=[N+]2CCC3=CC=CC=C3C2)N(N1)C)CCl

InChI

InChI=1S/C15H18ClN3/c1-11-14(9-16)15(18(2)17-11)19-8-7-12-5-3-4-6-13(12)10-19/h3-6H,7-10H2,1-2H3/p+1