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

Systemtic Name: 3-(4-methoxyphenyl)-1-(1-propylpiperazin-1-ium-1-yl)isoquinoline Openeye Name: 3-(4-methoxyphenyl)-1-(1-propylpiperazin-1-ium-1-yl)isoquinoline CAS Name: 3-(4-methoxyphenyl)-1-(1-propyl-1-piperazin-1-iumyl)isoquinoline IUPAC Name: 3-(4-methoxyphenyl)-1-(1-propylpiperazin-1-ium-1-yl)isoquinoline Traditional Name: 3-(4-methoxyphenyl)-1-(1-propylpiperazin-1-ium-1-yl)isoquinoline Formula: C23H28N3O+ MolecularWeight: 362.48792

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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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N3O/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/q+1