1-[(9Z)-9-(1,3-benzodioxol-5-ylmethylidene)fluoren-2-yl]-5-piperidin-1-ium-1-yl-pentan-1-one

Systemtic Name: 1-[(9Z)-9-(1,3-benzodioxol-5-ylmethylidene)fluoren-2-yl]-5-piperidin-1-ium-1-yl-pentan-1-one Openeye Name: 1-[(9Z)-9-(1,3-benzodioxol-5-ylmethylene)fluoren-2-yl]-5-piperidin-1-ium-1-yl-pentan-1-one CAS Name: 1-[(9Z)-9-(1,3-benzodioxol-5-ylmethylidene)-2-fluorenyl]-5-(1-piperidin-1-iumyl)-1-pentanone IUPAC Name: 1-[(9Z)-9-(1,3-benzodioxol-5-ylmethylidene)fluoren-2-yl]-5-piperidin-1-ium-1-ylpentan-1-one Traditional Name: 5-piperidin-1-ium-1-yl-1-[(9Z)-9-piperonylidenefluoren-2-yl]pentan-1-one Formula: C31H32NO3+ MolecularWeight: 466.59068

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCCC(=O)C2=CC3=C(C=C2)C4=CC=CC=C4C3=CC5=CC6=C(C=C5)OCO6

Isomeric SMILES

C1CC[NH+](CC1)CCCCC(=O)C2=CC\3=C(C=C2)C4=CC=CC=C4/C3=C/C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C31H31NO3/c33-29(10-4-7-17-32-15-5-1-6-16-32)23-12-13-26-24-8-2-3-9-25(24)27(28(26)20-23)18-22-11-14-30-31(19-22)35-21-34-30/h2-3,8-9,11-14,18-20H,1,4-7,10,15-17,21H2/p+1/b27-18-