6-(dodecylamino)-2-ethyl-7-fluoranyl-4-(4-methylpiperazin-1-yl)carbonyl-4H-isoquinolin-2-ium-3-one

Systemtic Name: 6-(dodecylamino)-2-ethyl-7-fluoranyl-4-(4-methylpiperazin-1-yl)carbonyl-4H-isoquinolin-2-ium-3-one Openeye Name: 6-(dodecylamino)-2-ethyl-7-fluoro-4-(4-methylpiperazine-1-carbonyl)-4H-isoquinolin-2-ium-3-one CAS Name: 6-(dodecylamino)-2-ethyl-7-fluoro-4-[(4-methyl-1-piperazinyl)-oxomethyl]-4H-isoquinolin-2-ium-3-one IUPAC Name: 6-(dodecylamino)-2-ethyl-7-fluoro-4-(4-methylpiperazine-1-carbonyl)-4H-isoquinolin-2-ium-3-one Traditional Name: 2-ethyl-7-fluoro-6-(laurylamino)-4-(4-methylpiperazine-1-carbonyl)-4H-isoquinolin-2-ium-3-one Formula: C29H46FN4O2+ MolecularWeight: 501.699543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC1=C(C=C2C=[N+](C(=O)C(C2=C1)C(=O)N3CCN(CC3)C)CC)F

Isomeric SMILES

CCCCCCCCCCCCNC1=C(C=C2C=[N+](C(=O)C(C2=C1)C(=O)N3CCN(CC3)C)CC)F

InChI

InChI=1S/C29H45FN4O2/c1-4-6-7-8-9-10-11-12-13-14-15-31-26-21-24-23(20-25(26)30)22-33(5-2)28(35)27(24)29(36)34-18-16-32(3)17-19-34/h20-22,27H,4-19H2,1-3H3/p+1