3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-benzyloxy-2-methyl-1H-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-6-phenylmethoxy-1H-quinolin-4-one Traditional Name: 6-benzoxy-2-methyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C30H33N3O4+2 MolecularWeight: 499.60072

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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=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)OCC3=CC=CC=C3)C[NH+]4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C30H31N3O4/c1-21-26(18-33-13-11-32(12-14-33)17-23-7-10-28-29(15-23)37-20-36-28)30(34)25-16-24(8-9-27(25)31-21)35-19-22-5-3-2-4-6-22/h2-10,15-16H,11-14,17-20H2,1H3,(H,31,34)/p+2