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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-6-morpholino-1H-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-2-methyl-6-(4-morpholinyl)-1H-quinolin-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-2-methyl-6-morpholin-4-yl-1H-quinolin-4-one Traditional Name: 2-methyl-6-morpholino-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C27H34N4O4+2 MolecularWeight: 478.58326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(N1)C=CC(=C2)N3CCOCC3)C[NH+]4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC1=C(C(=O)C2=C(N1)C=CC(=C2)N3CCOCC3)C[NH+]4CC[NH+](CC4)CC5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H32N4O4/c1-19-23(27(32)22-15-21(3-4-24(22)28-19)31-10-12-33-13-11-31)17-30-8-6-29(7-9-30)16-20-2-5-25-26(14-20)35-18-34-25/h2-5,14-15H,6-13,16-18H2,1H3,(H,28,32)/p+2