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

Systemtic Name: 2-methyl-6-phenylmethoxy-3-[[4-(phenylmethyl)piperazine-1,4-diium-1-yl]methyl]-1H-quinolin-4-one Openeye Name: 6-benzyloxy-3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one CAS Name: 2-methyl-6-phenylmethoxy-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-phenylmethoxy-1H-quinolin-4-one Traditional Name: 6-benzoxy-3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-quinolone Formula: C29H33N3O2+2 MolecularWeight: 455.59122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)CC5=CC=CC=C5

InChI

InChI=1S/C29H31N3O2/c1-22-27(20-32-16-14-31(15-17-32)19-23-8-4-2-5-9-23)29(33)26-18-25(12-13-28(26)30-22)34-21-24-10-6-3-7-11-24/h2-13,18H,14-17,19-21H2,1H3,(H,30,33)/p+2