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

Systemtic Name: 6-methoxy-2-phenyl-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-methoxy-2-phenyl-1H-quinolin-4-one CAS Name: 6-methoxy-2-phenyl-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-methoxy-2-phenyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-methoxy-2-phenyl-4-quinolone Formula: C28H31N3O2+2 MolecularWeight: 441.56464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C28H29N3O2/c1-33-23-12-13-26-24(18-23)28(32)25(27(29-26)22-10-6-3-7-11-22)20-31-16-14-30(15-17-31)19-21-8-4-2-5-9-21/h2-13,18H,14-17,19-20H2,1H3,(H,29,32)/p+2