[4-[(2S)-3-indol-1-yl-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone

Systemtic Name: [4-[(2S)-3-indol-1-yl-2-oxidanyl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Openeye Name: [4-[(2S)-2-hydroxy-3-indol-1-yl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone CAS Name: [4-[(2S)-2-hydroxy-3-(1-indolyl)propyl]-1-piperazin-4-iumyl]-phenylmethanone IUPAC Name: [4-[(2S)-2-hydroxy-3-indol-1-ylpropyl]piperazin-4-ium-1-yl]-phenylmethanone Traditional Name: [4-[(2S)-2-hydroxy-3-indol-1-yl-propyl]piperazin-4-ium-1-yl]-phenyl-methanone Formula: C22H26N3O2+ MolecularWeight: 364.46074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CN2C=CC3=CC=CC=C32)O)C(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CN2C=CC3=CC=CC=C32)O)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H25N3O2/c26-20(17-25-11-10-18-6-4-5-9-21(18)25)16-23-12-14-24(15-13-23)22(27)19-7-2-1-3-8-19/h1-11,20,26H,12-17H2/p+1/t20-/m1/s1