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

Systemtic Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; 1-methoxy-2-(sulfinoamino)ethane; dihydrochloride Openeye Name: 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline; 1-methoxy-2-(sulfinoamino)ethane; dihydrochloride CAS Name: 1-(4-ethyl-1-piperazinyl)-3-phenylisoquinoline; 1-methoxy-2-(sulfinoamino)ethane; dihydrochloride IUPAC Name: 1-(4-ethylpiperazin-1-yl)-3-phenylisoquinoline; 1-methoxy-2-(sulfinoamino)ethane; dihydrochloride Traditional Name: 1-(4-ethylpiperazino)-3-phenyl-isoquinoline; 1-methoxy-2-(sulfinoamino)ethane; dihydrochloride Formula: C24H34Cl2N4O3S MolecularWeight: 529.52276

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.COCCNS(=O)O.Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.COCCNS(=O)O.Cl.Cl

InChI

InChI=1S/C21H23N3.C3H9NO3S.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;1-7-3-2-4-8(5)6;;/h3-11,16H,2,12-15H2,1H3;4H,2-3H2,1H3,(H,5,6);2*1H