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

Systemtic Name: 1-(2-methoxyethyl)-6-methyl-4-oxidanylidene-3-[(R)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-pyridin-3-yl-methyl]pyridin-2-olate Openeye Name: 1-(2-methoxyethyl)-6-methyl-4-oxo-3-[(R)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-(3-pyridyl)methyl]pyridin-2-olate CAS Name: 1-(2-methoxyethyl)-6-methyl-4-oxo-3-[(R)-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-(3-pyridinyl)methyl]-2-pyridinolate IUPAC Name: 1-(2-methoxyethyl)-6-methyl-4-oxo-3-[(R)-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-pyridin-3-ylmethyl]pyridin-2-olate Traditional Name: 4-keto-1-(2-methoxyethyl)-6-methyl-3-[(R)-(4-pyridin-1-ium-2-ylpiperazino)-(3-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=CN=CC=C2)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

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

InChI

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