1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone

Systemtic Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone Openeye Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone CAS Name: 1-[4-(1H-indol-3-ylmethyl)-1-piperazin-4-iumyl]-2-phenylethanone IUPAC Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-2-phenylethanone Traditional Name: 1-[4-(1H-indol-3-ylmethyl)piperazin-4-ium-1-yl]-2-phenyl-ethanone Formula: C21H24N3O+ MolecularWeight: 334.43476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CNC3=CC=CC=C32)C(=O)CC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O/c25-21(14-17-6-2-1-3-7-17)24-12-10-23(11-13-24)16-18-15-22-20-9-5-4-8-19(18)20/h1-9,15,22H,10-14,16H2/p+1