1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; 2-(sulfinoamino)butane; dihydrochloride

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; 2-(sulfinoamino)butane; dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; 2-(sulfinoamino)butane; dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-phenylisoquinoline; 2-(sulfinoamino)butane; dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-phenylisoquinoline; 2-(sulfinoamino)butane; dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-phenyl-isoquinoline; 2-(sulfinoamino)butane; dihydrochloride Formula: C25H36Cl2N4O2S MolecularWeight: 527.54994

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)O.CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.Cl.Cl

Isomeric SMILES

CCC(C)NS(=O)O.CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.Cl.Cl

InChI

InChI=1S/C21H23N3.C4H11NO2S.2ClH/c1-2-23-12-14-24(15-13-23)21-19-11-7-6-10-18(19)16-20(22-21)17-8-4-3-5-9-17;1-3-4(2)5-8(6)7;;/h3-11,16H,2,12-15H2,1H3;4-5H,3H2,1-2H3,(H,6,7);2*1H