1'-[(4-phenylpiperazin-1-ium-1-yl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one

Systemtic Name: 1'-[(4-phenylpiperazin-1-ium-1-yl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one Openeye Name: 1'-[(4-phenylpiperazin-1-ium-1-yl)methyl]spiro[1,3-dioxane-2,3'-indoline]-2'-one CAS Name: 1'-[(4-phenyl-1-piperazin-1-iumyl)methyl]-2'-spiro[1,3-dioxane-2,3'-indole]one IUPAC Name: 1'-[(4-phenylpiperazin-1-ium-1-yl)methyl]spiro[1,3-dioxane-2,3'-indole]-2'-one Traditional Name: 1'-[(4-phenylpiperazin-1-ium-1-yl)methyl]spiro[1,3-dioxane-2,3'-indoline]-2'-one Formula: C22H26N3O3+ MolecularWeight: 380.46014

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2(C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5)OC1

Isomeric SMILES

C1COC2(C3=CC=CC=C3N(C2=O)C[NH+]4CCN(CC4)C5=CC=CC=C5)OC1

InChI

InChI=1S/C22H25N3O3/c26-21-22(27-15-6-16-28-22)19-9-4-5-10-20(19)25(21)17-23-11-13-24(14-12-23)18-7-2-1-3-8-18/h1-5,7-10H,6,11-17H2/p+1