1-[2-methyl-5-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]-1-phenyl-indol-3-yl]ethanone

Systemtic Name: 1-[2-methyl-5-[(2R)-2-oxidanyl-3-[4-(phenylmethyl)piperazin-4-ium-1-yl]propoxy]-1-phenyl-indol-3-yl]ethanone Openeye Name: 1-[5-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-2-methyl-1-phenyl-indol-3-yl]ethanone CAS Name: 1-[5-[(2R)-2-hydroxy-3-[4-(phenylmethyl)-1-piperazin-4-iumyl]propoxy]-2-methyl-1-phenyl-3-indolyl]ethanone IUPAC Name: 1-[5-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxypropoxy]-2-methyl-1-phenylindol-3-yl]ethanone Traditional Name: 1-[5-[(2R)-3-(4-benzylpiperazin-4-ium-1-yl)-2-hydroxy-propoxy]-2-methyl-1-phenyl-indol-3-yl]ethanone Formula: C31H36N3O3+ MolecularWeight: 498.63584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OCC(CN4CC[NH+](CC4)CC5=CC=CC=C5)O)C(=O)C

Isomeric SMILES

CC1=C(C2=C(N1C3=CC=CC=C3)C=CC(=C2)OC[C@@H](CN4CC[NH+](CC4)CC5=CC=CC=C5)O)C(=O)C

InChI

InChI=1S/C31H35N3O3/c1-23-31(24(2)35)29-19-28(13-14-30(29)34(23)26-11-7-4-8-12-26)37-22-27(36)21-33-17-15-32(16-18-33)20-25-9-5-3-6-10-25/h3-14,19,27,36H,15-18,20-22H2,1-2H3/p+1/t27-/m1/s1