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

Systemtic Name: 6-butyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Openeye Name: 6-butyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one CAS Name: 6-butyl-3-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-2-methyl-1H-quinolin-4-one IUPAC Name: 6-butyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Traditional Name: 6-butyl-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-quinolone Formula: C21H33N3O+2 MolecularWeight: 343.50622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31N3O/c1-4-6-7-17-8-9-20-18(14-17)21(25)19(16(3)22-20)15-24-12-10-23(5-2)11-13-24/h8-9,14H,4-7,10-13,15H2,1-3H3,(H,22,25)/p+2