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

Systemtic Name: 6-butyl-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-butyl-2-methyl-1H-quinolin-4-one CAS Name: 6-butyl-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-butyl-2-methyl-1H-quinolin-4-one Traditional Name: 3-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]-6-butyl-2-methyl-4-quinolone Formula: C26H35N3O+2 MolecularWeight: 405.5756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCCCC1=CC2=C(C=C1)NC(=C(C2=O)C[NH+]3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H33N3O/c1-3-4-8-21-11-12-25-23(17-21)26(30)24(20(2)27-25)19-29-15-13-28(14-16-29)18-22-9-6-5-7-10-22/h5-7,9-12,17H,3-4,8,13-16,18-19H2,1-2H3,(H,27,30)/p+2