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

Systemtic Name: 6-bromanyl-3-[[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-1H-quinolin-4-one Openeye Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-6-bromo-2-methyl-1H-quinolin-4-one CAS Name: 6-bromo-3-[[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-1H-quinolin-4-one IUPAC Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-6-bromo-2-methyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-6-bromo-2-methyl-4-quinolone Formula: C28H30BrN3O+2 MolecularWeight: 504.4613

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)Br)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)Br)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H28BrN3O/c1-20-25(28(33)24-18-23(29)12-13-26(24)30-20)19-31-14-16-32(17-15-31)27(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,18,27H,14-17,19H2,1H3,(H,30,33)/p+2