2,6-ditert-butyl-4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-ditert-butyl-4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 2,6-ditert-butyl-4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 2,6-ditert-butyl-4-[[[4-(2-pyridin-1-iumyl)-1-piperazinyl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 2,6-ditert-butyl-4-[[(4-pyridin-1-ium-2-ylpiperazin-1-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 2,6-ditert-butyl-4-[[(4-pyridin-1-ium-2-ylpiperazino)amino]methylene]cyclohexa-2,5-dien-1-one Formula: C24H35N4O+ MolecularWeight: 395.5609

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CNN2CCN(CC2)C3=CC=CC=[NH+]3)C=C(C1=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CNN2CCN(CC2)C3=CC=CC=[NH+]3)C=C(C1=O)C(C)(C)C

InChI

InChI=1S/C24H34N4O/c1-23(2,3)19-15-18(16-20(22(19)29)24(4,5)6)17-26-28-13-11-27(12-14-28)21-9-7-8-10-25-21/h7-10,15-17,26H,11-14H2,1-6H3/p+1