1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxaspiro[4.5]dec-1-en-3-one

Systemtic Name: 1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-4-oxaspiro[4.5]dec-1-en-3-one Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxaspiro[4.5]dec-1-en-3-one CAS Name: 1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-4-oxaspiro[4.5]dec-1-en-3-one IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxaspiro[4.5]dec-1-en-3-one Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-4-oxaspiro[4.5]dec-1-en-3-one Formula: C26H31N2O2+ MolecularWeight: 403.53654

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2(CC1)C(=CC(=O)O2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CCC2(CC1)C(=CC(=O)O2)N3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H30N2O2/c29-24-20-23(26(30-24)14-8-3-9-15-26)27-16-18-28(19-17-27)25(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-2,4-7,10-13,20,25H,3,8-9,14-19H2/p+1