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

Systemtic Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-(diethylamino)-2-methyl-1H-quinolin-4-one Openeye Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-(diethylamino)-2-methyl-1H-quinolin-4-one CAS Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazine-1,4-diiumyl]methyl]-6-(diethylamino)-2-methyl-1H-quinolin-4-one IUPAC Name: 3-[[4-(1,3-benzodioxol-5-ylmethyl)piperazine-1,4-diium-1-yl]methyl]-6-(diethylamino)-2-methyl-1H-quinolin-4-one Traditional Name: 6-(diethylamino)-2-methyl-3-[(4-piperonylpiperazine-1,4-diium-1-yl)methyl]-4-quinolone Formula: C27H36N4O3+2 MolecularWeight: 464.59974

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C27H34N4O3/c1-4-31(5-2)21-7-8-24-22(15-21)27(32)23(19(3)28-24)17-30-12-10-29(11-13-30)16-20-6-9-25-26(14-20)34-18-33-25/h6-9,14-15H,4-5,10-13,16-18H2,1-3H3,(H,28,32)/p+2