diethyl-[[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]azanium dihydrochloride

Systemtic Name: diethyl-[[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]azanium dihydrochloride Openeye Name: diethyl-[[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]ammonium dihydrochloride CAS Name: diethyl-[[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]ammonium dihydrochloride IUPAC Name: diethyl-[[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]azanium dihydrochloride Traditional Name: diethyl-[[2-[3-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]propyl]-3,4-dihydro-1H-isoquinolin-7-yl]methyl]ammonium dihydrochloride Formula: C26H38Cl2N5S+ MolecularWeight: 523.58442

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=CC2=C(CCN(C2)CCCSC3=NN=C(N3C)C4=CC=CC=C4)C=C1.Cl.Cl

Isomeric SMILES

CC[NH+](CC)CC1=CC2=C(CCN(C2)CCCSC3=NN=C(N3C)C4=CC=CC=C4)C=C1.Cl.Cl

InChI

InChI=1S/C26H35N5S.2ClH/c1-4-30(5-2)19-21-12-13-22-14-16-31(20-24(22)18-21)15-9-17-32-26-28-27-25(29(26)3)23-10-7-6-8-11-23;;/h6-8,10-13,18H,4-5,9,14-17,19-20H2,1-3H3;2*1H/p+1