(4-ethylpiperazin-4-ium-1-yl)-[(3R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone

Systemtic Name: (4-ethylpiperazin-4-ium-1-yl)-[(3R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Openeye Name: (4-ethylpiperazin-4-ium-1-yl)-[(3R)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone CAS Name: (4-ethyl-1-piperazin-4-iumyl)-[(3R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone IUPAC Name: (4-ethylpiperazin-4-ium-1-yl)-[(3R)-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinolin-3-yl]methanone Traditional Name: (4-ethylpiperazin-4-ium-1-yl)-[(3R)-2-(2-thienylsulfonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methanone Formula: C20H26N3O3S2+ MolecularWeight: 420.56874

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H]2CC3=CC=CC=C3CN2S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C20H25N3O3S2/c1-2-21-9-11-22(12-10-21)20(24)18-14-16-6-3-4-7-17(16)15-23(18)28(25,26)19-8-5-13-27-19/h3-8,13,18H,2,9-12,14-15H2,1H3/p+1/t18-/m1/s1