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

Systemtic Name: 6-bromanyl-2-methyl-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-bromo-2-methyl-1H-quinolin-4-one CAS Name: 6-bromo-2-methyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinolin-4-one IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-bromo-2-methyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-bromo-2-methyl-4-quinolone Formula: C22H26BrN3O+2 MolecularWeight: 428.36534

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)Br)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24BrN3O/c1-16-20(22(27)19-13-18(23)7-8-21(19)24-16)15-26-11-9-25(10-12-26)14-17-5-3-2-4-6-17/h2-8,13H,9-12,14-15H2,1H3,(H,24,27)/p+2