methyl 2-[3-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-7-methyl-2-oxidanylidene-quinolin-1-yl]ethanoate

Systemtic Name: methyl 2-[3-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-7-methyl-2-oxidanylidene-quinolin-1-yl]ethanoate Openeye Name: methyl 2-[3-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-7-methyl-2-oxo-1-quinolyl]acetate CAS Name: 2-[3-[(4-cyclohexyl-1-piperazin-4-iumyl)methyl]-7-methyl-2-oxo-1-quinolinyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-7-methyl-2-oxoquinolin-1-yl]acetate Traditional Name: 2-[3-[(4-cyclohexylpiperazin-4-ium-1-yl)methyl]-2-keto-7-methyl-1-quinolyl]acetic acid methyl ester Formula: C24H34N3O3+ MolecularWeight: 412.54506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2CC(=O)OC)CN3CC[NH+](CC3)C4CCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2CC(=O)OC)CN3CC[NH+](CC3)C4CCCCC4

InChI

InChI=1S/C24H33N3O3/c1-18-8-9-19-15-20(24(29)27(22(19)14-18)17-23(28)30-2)16-25-10-12-26(13-11-25)21-6-4-3-5-7-21/h8-9,14-15,21H,3-7,10-13,16-17H2,1-2H3/p+1