calcium 2-ethyl-3-methyl-1-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)-2-(phenylmethyl)butan-1-olate

Systemtic Name: calcium 2-ethyl-3-methyl-1-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)-2-(phenylmethyl)butan-1-olate Openeye Name: calcium 2-benzyl-2-ethyl-3-methyl-1-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)butan-1-olate CAS Name: calcium 2-ethyl-3-methyl-1-[4-(4-morpholin-4-iumylidene)-1-cyclohexa-2,5-dienylidene]-2-(phenylmethyl)-1-butanolate IUPAC Name: calcium 2-benzyl-2-ethyl-3-methyl-1-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)butan-1-olate Traditional Name: calcium 2-benzyl-2-ethyl-3-methyl-1-(4-morpholin-4-ium-4-ylidenecyclohexa-2,5-dien-1-ylidene)butan-1-olate Formula: C24H30CaNO2+ MolecularWeight: 404.5785

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)([C-](C)C)C(=C2C=CC(=[N+]3CCOCC3)C=C2)[O-].[Ca+2]

Isomeric SMILES

CCC(CC1=CC=CC=C1)([C-](C)C)C(=C2C=CC(=[N+]3CCOCC3)C=C2)[O-].[Ca+2]

InChI

InChI=1S/C24H30NO2.Ca/c1-4-24(19(2)3,18-20-8-6-5-7-9-20)23(26)21-10-12-22(13-11-21)25-14-16-27-17-15-25;/h5-13H,4,14-18H2,1-3H3;/q-1;+2