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

Systemtic Name: 1-(2-methoxyethyl)-6-methyl-4-oxidanylidene-3-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-pyridin-2-yl-methyl]pyridin-2-olate Openeye Name: 1-(2-methoxyethyl)-6-methyl-4-oxo-3-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-(2-pyridyl)methyl]pyridin-2-olate CAS Name: 1-(2-methoxyethyl)-6-methyl-4-oxo-3-[(S)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-(2-pyridinyl)methyl]-2-pyridinolate IUPAC Name: 1-(2-methoxyethyl)-6-methyl-4-oxo-3-[(S)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-pyridin-2-ylmethyl]pyridin-2-olate Traditional Name: 4-keto-1-(2-methoxyethyl)-6-methyl-3-[(S)-(4-pyridin-1-ium-2-ylpiperazino)-(2-pyridyl)methyl]pyridin-2-olate Formula: C24H29N5O3 MolecularWeight: 435.51876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C(N1CCOC)[O-])C(C2=CC=CC=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC(=O)C(=C(N1CCOC)[O-])[C@@H](C2=CC=CC=N2)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C24H29N5O3/c1-18-17-20(30)22(24(31)29(18)15-16-32-2)23(19-7-3-5-9-25-19)28-13-11-27(12-14-28)21-8-4-6-10-26-21/h3-10,17,23,31H,11-16H2,1-2H3/t23-/m1/s1