1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-pyridin-2-yl-methyl]-4-oxidanylidene-pyridin-2-olate

Systemtic Name: 1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-pyridin-2-yl-methyl]-4-oxidanylidene-pyridin-2-olate Openeye Name: 1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(2-pyridyl)methyl]-4-oxo-pyridin-2-olate CAS Name: 1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methyl-1-piperazin-4-iumyl)-(2-pyridinyl)methyl]-4-oxo-2-pyridinolate IUPAC Name: 1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-pyridin-2-ylmethyl]-4-oxopyridin-2-olate Traditional Name: 4-keto-1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-methylpiperazin-4-ium-1-yl)-(2-pyridyl)methyl]pyridin-2-olate Formula: C20H28N4O3 MolecularWeight: 372.46132

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCOC)[O-])C(C2=CC=CC=N2)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCOC)[O-])[C@@H](C2=CC=CC=N2)N3CC[NH+](CC3)C

InChI

InChI=1S/C20H28N4O3/c1-15-14-17(25)18(20(26)24(15)12-13-27-3)19(16-6-4-5-7-21-16)23-10-8-22(2)9-11-23/h4-7,14,19,26H,8-13H2,1-3H3/t19-/m1/s1