1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propan-1-one

Systemtic Name: 1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propan-1-one Openeye Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-indolin-1-yl-propan-1-one CAS Name: 1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)-1-piperazin-1-iumyl]-1-propanone IUPAC Name: 1-(2,3-dihydroindol-1-yl)-3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]propan-1-one Traditional Name: 3-[4-(4-hydroxyphenyl)piperazin-1-ium-1-yl]-1-indolin-1-yl-propan-1-one Formula: C21H26N3O2+ MolecularWeight: 352.45004

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CC[NH+]3CCN(CC3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CC[NH+]3CCN(CC3)C4=CC=C(C=C4)O

InChI

InChI=1S/C21H25N3O2/c25-19-7-5-18(6-8-19)23-15-13-22(14-16-23)11-10-21(26)24-12-9-17-3-1-2-4-20(17)24/h1-8,25H,9-16H2/p+1