4-(1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one

Systemtic Name: 4-(1H-indol-3-yl)-1-[4-(phenylmethyl)piperazin-4-ium-1-yl]butan-1-one Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(1H-indol-3-yl)butan-1-one CAS Name: 4-(1H-indol-3-yl)-1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1-butanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(1H-indol-3-yl)butan-1-one Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-4-(1H-indol-3-yl)butan-1-one Formula: C23H28N3O+ MolecularWeight: 362.48792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCC3=CNC4=CC=CC=C43

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CCCC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H27N3O/c27-23(12-6-9-20-17-24-22-11-5-4-10-21(20)22)26-15-13-25(14-16-26)18-19-7-2-1-3-8-19/h1-5,7-8,10-11,17,24H,6,9,12-16,18H2/p+1