1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one

Systemtic Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Openeye Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one CAS Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(1-piperazin-4-iumylsulfonyl)-1-propanone IUPAC Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperazin-4-ium-1-ylsulfonylpropan-1-one Traditional Name: 1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-piperazin-4-ium-1-ylsulfonyl-propan-1-one Formula: C16H24N3O3S+ MolecularWeight: 338.44506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)CCS(=O)(=O)N3CC[NH2+]CC3

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)CCS(=O)(=O)N3CC[NH2+]CC3

InChI

InChI=1S/C16H23N3O3S/c20-16(6-12-23(21,22)19-10-7-17-8-11-19)18-9-5-14-3-1-2-4-15(14)13-18/h1-4,17H,5-13H2/p+1