2-[(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: 2-[(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: 2-[[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: 2-[[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: 2-[(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: 2-[(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)methyl]-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C20H29N4O2S+ MolecularWeight: 389.53486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C[NH+]2CCC3=CC=CC=C3C2)C)S(=O)(=O)N4CCCCC4

Isomeric SMILES

CC1=C(C(=NN1C[NH+]2CCC3=CC=CC=C3C2)C)S(=O)(=O)N4CCCCC4

InChI

InChI=1S/C20H28N4O2S/c1-16-20(27(25,26)23-11-6-3-7-12-23)17(2)24(21-16)15-22-13-10-18-8-4-5-9-19(18)14-22/h4-5,8-9H,3,6-7,10-15H2,1-2H3/p+1