(ethyl-methyl-sulfinato-azaniumyl)ethane; 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline

Systemtic Name: (ethyl-methyl-sulfinato-azaniumyl)ethane; 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline Openeye Name: (ethyl-methyl-sulfinato-ammonio)ethane; 1-(4-ethylpiperazin-1-yl)-3-phenyl-isoquinoline CAS Name: (ethyl-methyl-sulfinatoammonio)ethane; 1-(4-ethyl-1-piperazinyl)-3-phenylisoquinoline IUPAC Name: (ethyl-methyl-sulfinatoazaniumyl)ethane; 1-(4-ethylpiperazin-1-yl)-3-phenylisoquinoline Traditional Name: (ethyl-methyl-sulfinato-ammonio)ethane; 1-(4-ethylpiperazino)-3-phenyl-isoquinoline Formula: C26H36N4O2S MolecularWeight: 468.65464

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.CC[N+](C)(CC)S(=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=CC3=CC=CC=C32)C4=CC=CC=C4.CC[N+](C)(CC)S(=O)[O-]

InChI

InChI=1S/C21H23N3.C5H13NO2S/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;1-4-6(3,5-2)9(7)8/h3-11,16H,2,12-15H2,1H3;4-5H2,1-3H3