4-[3,5-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrazol-4-yl]sulfonylmorpholine

Systemtic Name: 4-[3,5-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrazol-4-yl]sulfonylmorpholine Openeye Name: 4-[3,5-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrazol-4-yl]sulfonylmorpholine CAS Name: 4-[[3,5-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)-4-pyrazolyl]sulfonyl]morpholine IUPAC Name: 4-[3,5-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrazol-4-yl]sulfonylmorpholine Traditional Name: 4-[3,5-dimethyl-1-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-ylmethyl)pyrazol-4-yl]sulfonylmorpholine Formula: C19H27N4O3S+ MolecularWeight: 391.50768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCC3=CC=CC=C3C2)C)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCC3=CC=CC=C3C2)C)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C19H26N4O3S/c1-15-19(27(24,25)22-9-11-26-12-10-22)16(2)23(20-15)14-21-8-7-17-5-3-4-6-18(17)13-21/h3-6H,7-14H2,1-2H3/p+1