6-ethoxy-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one

Systemtic Name: 6-ethoxy-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Openeye Name: 6-ethoxy-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one CAS Name: 6-ethoxy-3-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-2-methyl-1H-quinolin-4-one IUPAC Name: 6-ethoxy-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Traditional Name: 6-ethoxy-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-quinolone Formula: C19H29N3O2+2 MolecularWeight: 331.45246

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC)C

Isomeric SMILES

CC[NH+]1CC[NH+](CC1)CC2=C(NC3=C(C2=O)C=C(C=C3)OCC)C

InChI

InChI=1S/C19H27N3O2/c1-4-21-8-10-22(11-9-21)13-17-14(3)20-18-7-6-15(24-5-2)12-16(18)19(17)23/h6-7,12H,4-5,8-11,13H2,1-3H3,(H,20,23)/p+2