3-(4-methoxyphenyl)-1-(1-propylpiperazin-1-ium-1-yl)isoquinoline dihydrochloride

Systemtic Name: 3-(4-methoxyphenyl)-1-(1-propylpiperazin-1-ium-1-yl)isoquinoline dihydrochloride Openeye Name: 3-(4-methoxyphenyl)-1-(1-propylpiperazin-1-ium-1-yl)isoquinoline dihydrochloride CAS Name: 3-(4-methoxyphenyl)-1-(1-propyl-1-piperazin-1-iumyl)isoquinoline dihydrochloride IUPAC Name: 3-(4-methoxyphenyl)-1-(1-propylpiperazin-1-ium-1-yl)isoquinoline dihydrochloride Traditional Name: 3-(4-methoxyphenyl)-1-(1-propylpiperazin-1-ium-1-yl)isoquinoline dihydrochloride Formula: C23H30Cl2N3O+ MolecularWeight: 435.4098

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(CCNCC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC.Cl.Cl

Isomeric SMILES

CCC[N+]1(CCNCC1)C2=NC(=CC3=CC=CC=C32)C4=CC=C(C=C4)OC.Cl.Cl

InChI

InChI=1S/C23H28N3O.2ClH/c1-3-14-26(15-12-24-13-16-26)23-21-7-5-4-6-19(21)17-22(25-23)18-8-10-20(27-2)11-9-18;;/h4-11,17,24H,3,12-16H2,1-2H3;2*1H/q+1;;