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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

InChI

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