1-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]indole-3-carbaldehyde

Systemtic Name: 1-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propyl]indole-3-carbaldehyde Openeye Name: 1-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propyl]indole-3-carbaldehyde CAS Name: 1-[(2R)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propyl]-3-indolecarboxaldehyde IUPAC Name: 1-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropyl]indole-3-carbaldehyde Traditional Name: 1-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propyl]indole-3-carbaldehyde Formula: C23H28N3O2+ MolecularWeight: 378.48732

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)CC(CN3C=C(C4=CC=CC=C43)C=O)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C[C@H](CN3C=C(C4=CC=CC=C43)C=O)O

InChI

InChI=1S/C23H27N3O2/c27-18-20-15-26(23-9-5-4-8-22(20)23)17-21(28)16-25-12-10-24(11-13-25)14-19-6-2-1-3-7-19/h1-9,15,18,21,28H,10-14,16-17H2/p+1/t21-/m1/s1