1-(azocan-1-ium-1-ylmethyl)benzo[f]chromen-3-one

Systemtic Name: 1-(azocan-1-ium-1-ylmethyl)benzo[f]chromen-3-one Openeye Name: 1-(azocan-1-ium-1-ylmethyl)benzo[f]chromen-3-one CAS Name: 1-(1-azocan-1-iumylmethyl)-3-benzo[f][1]benzopyranone IUPAC Name: 1-(azocan-1-ium-1-ylmethyl)benzo[f]chromen-3-one Traditional Name: 1-(azocan-1-ium-1-ylmethyl)benzo[f]chromen-3-one Formula: C21H24NO2+ MolecularWeight: 322.42076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CCC1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

Isomeric SMILES

C1CCC[NH+](CCC1)CC2=CC(=O)OC3=C2C4=CC=CC=C4C=C3

InChI

InChI=1S/C21H23NO2/c23-20-14-17(15-22-12-6-2-1-3-7-13-22)21-18-9-5-4-8-16(18)10-11-19(21)24-20/h4-5,8-11,14H,1-3,6-7,12-13,15H2/p+1