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

Systemtic Name: 8-chloranyl-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]-8-chloro-2-methyl-1H-quinolin-4-one CAS Name: 8-chloro-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]-8-chloro-2-methyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzhydrylpiperazine-1,4-diium-1-yl)methyl]-8-chloro-2-methyl-4-quinolone Formula: C28H30ClN3O+2 MolecularWeight: 460.0103

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C28H28ClN3O/c1-20-24(28(33)23-13-8-14-25(29)26(23)30-20)19-31-15-17-32(18-16-31)27(21-9-4-2-5-10-21)22-11-6-3-7-12-22/h2-14,27H,15-19H2,1H3,(H,30,33)/p+2