1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one

Systemtic Name: 1-[[4-(phenylmethyl)piperidin-1-ium-1-yl]methyl]benzo[f]chromen-3-one Openeye Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzo[f]chromen-3-one CAS Name: 1-[[4-(phenylmethyl)-1-piperidin-1-iumyl]methyl]-3-benzo[f][1]benzopyranone IUPAC Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Traditional Name: 1-[(4-benzylpiperidin-1-ium-1-yl)methyl]benzo[f]chromen-3-one Formula: C26H26NO2+ MolecularWeight: 384.49014

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

Isomeric SMILES

C1C[NH+](CCC1CC2=CC=CC=C2)CC3=CC(=O)OC4=C3C5=CC=CC=C5C=C4

InChI

InChI=1S/C26H25NO2/c28-25-17-22(26-23-9-5-4-8-21(23)10-11-24(26)29-25)18-27-14-12-20(13-15-27)16-19-6-2-1-3-7-19/h1-11,17,20H,12-16,18H2/p+1