3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,8-dimethyl-1H-quinolin-4-one

Systemtic Name: 3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2,8-dimethyl-1H-quinolin-4-one Openeye Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2,8-dimethyl-1H-quinolin-4-one CAS Name: 3-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2,8-dimethyl-1H-quinolin-4-one IUPAC Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2,8-dimethyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-2,8-dimethyl-4-quinolone Formula: C29H33N3O+2 MolecularWeight: 439.59182

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=C(C2=O)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5)C

InChI

InChI=1S/C29H31N3O/c1-21-10-9-15-25-27(21)30-22(2)26(29(25)33)20-31-16-18-32(19-17-31)28(23-11-5-3-6-12-23)24-13-7-4-8-14-24/h3-15,28H,16-20H2,1-2H3,(H,30,33)/p+2