3-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylazanium

Systemtic Name: 3-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylazanium Openeye Name: 3-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylammonium CAS Name: 3-[7-(1-pyrrolidinylsulfonyl)-3,4-dihydro-1H-isoquinolin-2-yl]propylammonium IUPAC Name: 3-(7-pyrrolidin-1-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylazanium Traditional Name: 3-(7-pyrrolidinosulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)propylammonium Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC3=C(CCN(C3)CCC[NH3+])C=C2

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC3=C(CCN(C3)CCC[NH3+])C=C2

InChI

InChI=1S/C16H25N3O2S/c17-7-3-8-18-11-6-14-4-5-16(12-15(14)13-18)22(20,21)19-9-1-2-10-19/h4-5,12H,1-3,6-11,13,17H2/p+1