1-[(9Z)-9-[(4-methoxyphenyl)methylidene]fluoren-2-yl]-5-piperidin-1-ium-1-yl-pentan-1-one

Systemtic Name: 1-[(9Z)-9-[(4-methoxyphenyl)methylidene]fluoren-2-yl]-5-piperidin-1-ium-1-yl-pentan-1-one Openeye Name: 1-[(9Z)-9-[(4-methoxyphenyl)methylene]fluoren-2-yl]-5-piperidin-1-ium-1-yl-pentan-1-one CAS Name: 1-[(9Z)-9-[(4-methoxyphenyl)methylidene]-2-fluorenyl]-5-(1-piperidin-1-iumyl)-1-pentanone IUPAC Name: 1-[(9Z)-9-[(4-methoxyphenyl)methylidene]fluoren-2-yl]-5-piperidin-1-ium-1-ylpentan-1-one Traditional Name: 1-[(9Z)-9-p-anisylidenefluoren-2-yl]-5-piperidin-1-ium-1-yl-pentan-1-one Formula: C31H34NO2+ MolecularWeight: 452.60716

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C2C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)CCCC[NH+]5CCCCC5

Isomeric SMILES

COC1=CC=C(C=C1)/C=C\2/C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)CCCC[NH+]5CCCCC5

InChI

InChI=1S/C31H33NO2/c1-34-25-15-12-23(13-16-25)21-29-27-10-4-3-9-26(27)28-17-14-24(22-30(28)29)31(33)11-5-8-20-32-18-6-2-7-19-32/h3-4,9-10,12-17,21-22H,2,5-8,11,18-20H2,1H3/p+1/b29-21-