1-isoquinolin-2-ium-2-yldodecan-1-one

Systemtic Name: 1-isoquinolin-2-ium-2-yldodecan-1-one Openeye Name: 1-isoquinolin-2-ium-2-yldodecan-1-one CAS Name: 1-(2-isoquinolin-2-iumyl)-1-dodecanone IUPAC Name: 1-isoquinolin-2-ium-2-yldodecan-1-one Traditional Name: 1-isoquinolin-2-ium-2-yldodecan-1-one Formula: C21H30NO+ MolecularWeight: 312.469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)[N+]1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCCCCCCCC(=O)[N+]1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C21H30NO/c1-2-3-4-5-6-7-8-9-10-15-21(23)22-17-16-19-13-11-12-14-20(19)18-22/h11-14,16-18H,2-10,15H2,1H3/q+1