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

Systemtic Name: 6-(diethylamino)-2-methyl-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]-6-(diethylamino)-2-methyl-1H-quinolin-4-one CAS Name: 6-(diethylamino)-2-methyl-3-[[4-(phenylmethyl)-1-piperazine-1,4-diiumyl]methyl]-1H-quinolin-4-one IUPAC Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-(diethylamino)-2-methyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-(diethylamino)-2-methyl-4-quinolone Formula: C26H36N4O+2 MolecularWeight: 420.59024

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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=CC=CC=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C26H34N4O/c1-4-30(5-2)22-11-12-25-23(17-22)26(31)24(20(3)27-25)19-29-15-13-28(14-16-29)18-21-9-7-6-8-10-21/h6-12,17H,4-5,13-16,18-19H2,1-3H3,(H,27,31)/p+2