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

Systemtic Name: 6-(diethylamino)-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Openeye Name: 6-(diethylamino)-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one CAS Name: 6-(diethylamino)-3-[(4-ethyl-1-piperazine-1,4-diiumyl)methyl]-2-methyl-1H-quinolin-4-one IUPAC Name: 6-(diethylamino)-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-1H-quinolin-4-one Traditional Name: 6-(diethylamino)-3-[(4-ethylpiperazine-1,4-diium-1-yl)methyl]-2-methyl-4-quinolone Formula: C21H34N4O+2 MolecularWeight: 358.52086

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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)N(CC)CC)C

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O/c1-5-23-10-12-24(13-11-23)15-19-16(4)22-20-9-8-17(25(6-2)7-3)14-18(20)21(19)26/h8-9,14H,5-7,10-13,15H2,1-4H3,(H,22,26)/p+2