3-(1H-indol-3-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-1-one

Systemtic Name: 3-(1H-indol-3-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-1-one Openeye Name: 3-(1H-indol-3-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-1-one CAS Name: 3-(1H-indol-3-yl)-1-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]-1-propanone IUPAC Name: 3-(1H-indol-3-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-1-one Traditional Name: 3-(1H-indol-3-yl)-1-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]propan-1-one Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CCOC2=CC=CC=C2)C(=O)CCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O2/c27-23(11-10-19-18-24-22-9-5-4-8-21(19)22)26-14-12-25(13-15-26)16-17-28-20-6-2-1-3-7-20/h1-9,18,24H,10-17H2/p+1