(2R)-1-(1H-indol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-1-one

Systemtic Name: (2R)-1-(1H-indol-3-yl)-2-[4-(phenylmethyl)piperazine-1,4-diium-1-yl]propan-1-one Openeye Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(1H-indol-3-yl)propan-1-one CAS Name: (2R)-1-(1H-indol-3-yl)-2-[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]-1-propanone IUPAC Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(1H-indol-3-yl)propan-1-one Traditional Name: (2R)-2-(4-benzylpiperazine-1,4-diium-1-yl)-1-(1H-indol-3-yl)propan-1-one Formula: C22H27N3O+2 MolecularWeight: 349.46928

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CNC2=CC=CC=C21)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

C[C@H](C(=O)C1=CNC2=CC=CC=C21)[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O/c1-17(22(26)20-15-23-21-10-6-5-9-19(20)21)25-13-11-24(12-14-25)16-18-7-3-2-4-8-18/h2-10,15,17,23H,11-14,16H2,1H3/p+2/t17-/m1/s1