1-(1-ethyl-2-phenyl-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanone

Systemtic Name: 1-(1-ethyl-2-phenyl-indol-3-yl)-2-[4-(phenylmethyl)piperazin-1-ium-1-yl]ethanone Openeye Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-(1-ethyl-2-phenyl-indol-3-yl)ethanone CAS Name: 1-(1-ethyl-2-phenyl-3-indolyl)-2-[4-(phenylmethyl)-1-piperazin-1-iumyl]ethanone IUPAC Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-(1-ethyl-2-phenylindol-3-yl)ethanone Traditional Name: 2-(4-benzylpiperazin-1-ium-1-yl)-1-(1-ethyl-2-phenyl-indol-3-yl)ethanone Formula: C29H32N3O+ MolecularWeight: 438.58388

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)CC5=CC=CC=C5

Isomeric SMILES

CCN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)C[NH+]4CCN(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O/c1-2-32-26-16-10-9-15-25(26)28(29(32)24-13-7-4-8-14-24)27(33)22-31-19-17-30(18-20-31)21-23-11-5-3-6-12-23/h3-16H,2,17-22H2,1H3/p+1