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

Systemtic Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Openeye Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thienyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone CAS Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thiophenyl]-(4-phenethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)thiophen-2-yl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Traditional Name: [3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2-thienyl]-(4-phenethylpiperazin-4-ium-1-yl)methanone Formula: C26H30N3O3S2+ MolecularWeight: 496.6647

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)N4CC[NH+](CC4)CCC5=CC=CC=C5

Isomeric SMILES

C1CN(CC2=CC=CC=C21)S(=O)(=O)C3=C(SC=C3)C(=O)N4CC[NH+](CC4)CCC5=CC=CC=C5

InChI

InChI=1S/C26H29N3O3S2/c30-26(28-17-15-27(16-18-28)13-10-21-6-2-1-3-7-21)25-24(12-19-33-25)34(31,32)29-14-11-22-8-4-5-9-23(22)20-29/h1-9,12,19H,10-11,13-18,20H2/p+1